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

Systemtic Name: 4-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4-carbethoxyanilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C20H16N2O5 MolecularWeight: 364.35144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5/c1-2-27-20(26)15-7-9-17(10-8-15)22-18(23)16(12-21)11-13-3-5-14(6-4-13)19(24)25/h3-11H,2H2,1H3,(H,22,23)(H,24,25)/b16-11+