[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C17H13ClN2O3 MolecularWeight: 328.74972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C17H13ClN2O3/c18-15-6-4-12(5-7-15)10-20-16(21)11-23-17(22)14-3-1-2-13(8-14)9-19/h1-8H,10-11H2,(H,20,21)