[(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13-19(14(2)25(24-13)18-7-5-4-6-8-18)21(27)28-15(3)20(26)23-17-11-9-16(22)10-12-17/h4-12,15H,1-3H3,(H,23,26)/t15-/m1/s1