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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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