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

Systemtic Name: [(2R)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(3-chloro-2-methyl-anilino)-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 [(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H23Cl2N3O3 MolecularWeight: 412.31022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23Cl2N3O3/c1-5-6-10-24-17(21)16(12(3)23-24)19(26)27-13(4)18(25)22-15-9-7-8-14(20)11(15)2/h7-9,13H,5-6,10H2,1-4H3,(H,22,25)/t13-/m1/s1