[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O3/c19-15-7-4-6-14(12-15)18(23)24-13-17(22)21(11-5-10-20)16-8-2-1-3-9-16/h1-4,6-9,12H,5,11,13H2