[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H15Cl2N3O3 MolecularWeight: 392.236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O3/c19-13-3-1-4-14(10-13)23(8-2-7-21)17(24)11-26-18(25)12-5-6-15(20)16(22)9-12/h1,3-6,9-10H,2,8,11,22H2