Free Chemical Databases
-
[Synonyms]
3-Hmnbp
3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione
118724-88-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 279.24542 [g/mol] Molecular Formula C13H13NO6 XLogP 1.9 H-Bond Donor 1 H-Bond Acceptor 6 Rotatable Bond Count 4 Tautomer Count 9 Exact Mass 279.074287 MonoIsotopic Mass 279.074287 Topological Polar Surface Area 107 Heavy Atom Count 20 Formal Charge 0 Complexity 423 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Canonical SMILES: CC(=O)C(=CC1=CC(=C(C(=C1)O)OC)[N+](=O)[O-])C(=O)C
InChI: InChI=1/C13H13NO6/c1-7(15)10(8(2)16)4-9-5-11(14(18)19)13(20-3)12(17)6-9/
h4-6,17H,1-3H3
Other Chemicals
- 3-(Dodecylamino)propane-1,2-diol,EINECS 212-482-1,N-(2,3-Dihydroxypropyl)dodecylamine,1,2-Propanediol, 3-(dode
- 5-CMTPD ,5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate ,5alpha-Chloro-16-methylene-3bet
- IUPAC Name: (3-amino-4-hydroxy-3-methyl-4-oxobutyl)-[[(2S,3S,4R,,5R)-5-(6-aminopurin-9-yl)-3,,4-dihydroxyoxola
- Ara-cdp-prednisolone ,1(beta)-D-Arabinofuranosylcytosine-5'-diphosphate prednisolone ,P1-(Prednisolone-21-
- 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(6-methoxy-1,3-benzodioxol-5-yl)-,77026-91-6,
- IUPAC Name: 2-[[(2R)-2-[[2-[[(2S)-1-[(2S)-1-[3-(4-hydroxyphenyl)propanoyl],pyrrolidine-2-carbonyl]pyrrolidine-
- 2,5-Dimethylphenisopropylamine sulfate,LS-103752,Phenethylamine, alpha,2,5-trimethyl-, sulfate (2:1),63951-02-
- (+-)-Ubine hydrochloride,LS-30715,(+-)-alpha-((Dimethylamino)methyl)benzenemethanol hydrochloride,Benzenemetha
- IUPAC Name: 2-[[4-[(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)amino],diazenylphenyl]methylideneamino]gu
- 82535-30-6,Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-methoxyphenyl)methyl ester,
- IUPAC Name: sodium 3-(4-amino-3-ethoxyphenyl)diazenylbenzenesulfonate,Canonical SMILES: CCOC1=C(C=CC(=C1)N=NC2
- IUPAC Name: 2,6,10,15,19,23-hexamethyltetracos-7-ene,Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CC=CC(C)CCCC
- Fenetylline ,Biocapton ,Captagon ,Captagon hydrochloride,Fenethylline hydrochloride,Amfetyline hydrochloride,F
- 2-Methyl-6-phenyl-gamma-pyrone,2-Methyl-6-phenyl-4H-pyran-4-one,4H-Pyran-4-one, 2-methyl-6-phenyl-,BRN 0132973
- Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester,71992-10-4,
- Erioflorin methacrylate ,NSC251666,50816-66-5,
- 5-Chloro-2-methoxypyrimidine,Pyrimidine,5-chloro-2-methoxy-,ZINC04228197,38373-44-3,
- IUPAC Name: 1-methylsulfanyl-N-(phenylamino)methanimidothioic acid,Canonical SMILES: CSC(=NNC1=CC=CC=C1)S,InCh
- IUPAC Name: N-[2-[4-[2-(quinolin-4-ylamino)phenoxy]butoxy]phenyl]quinolin-4-amine,Canonical SMILES: C1=CC=C2C(
- Dup-721 ,Dup 721 ,AIDS008555,AIDS-008555,4-Acetylphenyloxooxazolidinylmethylacetamide ,3-(4-Acetylphenyl)-5-ac
- IUPAC Name: 3-phenyl-5-(phenylmethyl)-2-sulfanyl-5H-imidazol-4-one,Canonical SMILES: C1=CC=C(C=C1)CC2C(=O)N(C(
- Naphthgeranine C ,137109-45-6,4H-Benzo(d)naphtho(2,3-b)pyran-7,12-dione, 3,4a,5,12b-tetrahydro-3,8,10-trihydro
- IUPAC Name: but-2-enedioic acid; S-[2-(di(propan-2-yl)amino)ethyl],pyrido[2,3-b][1,4]benzothiazine-5-carbothio
- 2-Methyl-1-naphthaleneacetonitrile,(2-Methyl-1-naphthyl)acetonitrile,EINECS 274-129-8,1-Naphthaleneacetonitril
- 8-Azabicyclo(3.2.1)octan-3-ol, 8-methylmethanesulfonate (ester), endo-,8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-
- o-Phenylene sulfite,Pyrocatechol, cyclic sulfite,1,3,2-Benzodioxathiole, 2-oxide,NSC121608,LS-34512,6255-58-9,
- NCI60_008470
- N9-Phenyl-3,9-acridinediamine,3,9-Acridinediamine, N9-phenyl-,76015-22-0,
- IUPAC Name: [3-(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenylphenyl],benzenesulfonate,Canonical SM