methyl 4-[(E)-2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C#N)OC

InChI

InChI=1S/C20H18N2O5/c1-25-17-9-8-16(11-18(17)26-2)22-19(23)15(12-21)10-13-4-6-14(7-5-13)20(24)27-3/h4-11H,1-3H3,(H,22,23)/b15-10+