Free Chemical Databases
-
[Synonyms]
NSC123190
[Structure]
[ Properties Computed from Structure]
Molecular Weight 282.29242 [g/mol] Molecular Formula C13H18N2O5 XLogP 2.6 H-Bond Donor 1 H-Bond Acceptor 6 Rotatable Bond Count 7 Tautomer Count 2 Exact Mass 282.121572 MonoIsotopic Mass 282.121572 Topological Polar Surface Area 78.4 Heavy Atom Count 20 Formal Charge 0 Complexity 310 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: ethyl N-[(2,4,6-trimethoxyphenyl)methylideneamino]carbamate
Canonical SMILES: CCOC(=O)NN=CC1=C(C=C(C=C1OC)OC)OC
InChI: InChI=1/C13H18N2O5/c1-5-20-13(16)15-14-8-10-11(18-3)6-9(17-2)7-12(10)19-
4/h6-8H,5H2,1-4H3,(H,15,16)/f/h15H
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