Free Chemical Databases
-
[Synonyms]
NSC99817
ZINC04064699
19365-76-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 271.27132 [g/mol] Molecular Formula C14H13N3O3 XLogP 4.1 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 4 Exact Mass 271.095691 MonoIsotopic Mass 271.095691 Topological Polar Surface Area 76.8 Heavy Atom Count 20 Formal Charge 0 Complexity 335 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-[(2-methoxyphenyl)methylideneamino]-4-nitroaniline
Canonical SMILES: COC1=CC=CC=C1C=NNC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1/C14H13N3O3/c1-20-14-5-3-2-4-11(14)10-15-16-12-6-8-13(9-7-12)17
(18)19/h2-10,16H,1H3
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