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

Systemtic Name: 4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]benzoate Formula: C18H13N2O3- MolecularWeight: 305.30742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C18H14N2O3/c1-12-2-8-16(9-3-12)20-17(21)15(11-19)10-13-4-6-14(7-5-13)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/p-1/b15-10+