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

Systemtic Name: 4-[(E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]benzoic acid Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C19H16N2O3/c1-2-13-5-9-17(10-6-13)21-18(22)16(12-20)11-14-3-7-15(8-4-14)19(23)24/h3-11H,2H2,1H3,(H,21,22)(H,23,24)/b16-11+