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

Systemtic Name: [(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(2-benzoylhydrazino)-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-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-benzoylhydrazinyl)-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-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O4/c1-4-5-11-24-16(20)15(12(2)23-24)19(27)28-13(3)17(25)21-22-18(26)14-9-7-6-8-10-14/h6-10,13H,4-5,11H2,1-3H3,(H,21,25)(H,22,26)/t13-/m0/s1