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

Systemtic Name: methyl 4-[(E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C#N)C

InChI

InChI=1S/C20H18N2O3/c1-13-4-9-18(10-14(13)2)22-19(23)17(12-21)11-15-5-7-16(8-6-15)20(24)25-3/h4-11H,1-3H3,(H,22,23)/b17-11+