[(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H16ClN3O3/c1-13(18(24)22-17-6-3-2-5-16(17)20)26-19(25)14-7-9-15(10-8-14)23-12-4-11-21-23/h2-13H,1H3,(H,22,24)/t13-/m0/s1