[(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1S)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H21Cl2N3O3 MolecularWeight: 398.28364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O3/c1-4-5-10-23-16(20)15(11(2)22-23)18(25)26-12(3)17(24)21-14-8-6-13(19)7-9-14/h6-9,12H,4-5,10H2,1-3H3,(H,21,24)/t12-/m0/s1