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

Systemtic Name: 4-[(E)-2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-keto-prop-1-enyl]benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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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)O)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5/c1-25-16-8-7-15(10-17(16)26-2)21-18(22)14(11-20)9-12-3-5-13(6-4-12)19(23)24/h3-10H,1-2H3,(H,21,22)(H,23,24)/b14-9+