[3-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-chloranylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-chloranylbenzoate Openeye Name: [3-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxo-prop-1-enyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [3-[(E)-2-cyano-3-keto-3-(o-phenetidino)prop-1-enyl]phenyl] ester Formula: C25H19ClN2O4 MolecularWeight: 446.88236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Cl)/C#N

InChI

InChI=1S/C25H19ClN2O4/c1-2-31-23-13-6-5-12-22(23)28-24(29)18(16-27)14-17-8-7-9-19(15-17)32-25(30)20-10-3-4-11-21(20)26/h3-15H,2H2,1H3,(H,28,29)/b18-14+