4-[(E)-2-cyano-3-[(2,6-diethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-[(2,6-diethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(2,6-diethylanilino)-3-keto-prop-1-enyl]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-3-15-6-5-7-16(4-2)19(15)23-20(24)18(13-22)12-14-8-10-17(11-9-14)21(25)26/h5-12H,3-4H2,1-2H3,(H,23,24)(H,25,26)/b18-12+