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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3/c1-13(15-5-3-2-4-6-15)21-18(22)17(12-20)11-14-7-9-16(10-8-14)19(23)24/h2-11,13H,1H3,(H,21,22)(H,23,24)/b17-11+