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

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4/c1-11(2)10-24-18(21)17(12(3)23-24)20(27)28-14(5)19(26)22-16-8-6-15(7-9-16)13(4)25/h6-9,11,14H,10H2,1-5H3,(H,22,26)/t14-/m1/s1