[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC(=CC=C2)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)NC2=CC(=CC=C2)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O4/c1-13-18(19(22)25(24-13)16-9-5-4-6-10-16)21(27)29-14(2)20(26)23-15-8-7-11-17(12-15)28-3/h4-12,14H,1-3H3,(H,23,26)/t14-/m1/s1