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

Systemtic Name: 2-[2-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-3-(4-carbethoxyanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N

InChI

InChI=1S/C21H18N2O6/c1-2-28-21(27)14-7-9-17(10-8-14)23-20(26)16(12-22)11-15-5-3-4-6-18(15)29-13-19(24)25/h3-11H,2,13H2,1H3,(H,23,26)(H,24,25)/b16-11+