[4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-chloranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(p-tolylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-[(4-methylbenzyl)amino]prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C27H23ClN2O4/c1-3-33-25-15-20(12-13-24(25)34-27(32)22-6-4-5-7-23(22)28)14-21(16-29)26(31)30-17-19-10-8-18(2)9-11-19/h4-15H,3,17H2,1-2H3,(H,30,31)/b21-14+