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

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[(3-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)Cl)CNC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

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