[(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H16ClN3O3 MolecularWeight: 369.80164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O3/c1-12(18(24)21-15-9-5-8-14(20)10-15)26-19(25)17-11-16(22-23-17)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,24)(H,22,23)/t12-/m0/s1