[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-chloro-2-hydroxy-benzoate CAS Name: 5-chloro-2-hydroxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate Traditional Name: 5-chloro-2-hydroxy-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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=C(C=CC(=C2)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O4/c19-13-7-8-16(22)15(11-13)18(24)25-12-17(23)21(10-4-9-20)14-5-2-1-3-6-14/h1-3,5-8,11,22H,4,10,12H2