[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [(1S)-2-(ethylamino)-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 [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-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 [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H22ClN3O3 MolecularWeight: 315.79578

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(N(N=C1C)CC(C)C)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(N(N=C1C)CC(C)C)Cl

InChI

InChI=1S/C14H22ClN3O3/c1-6-16-13(19)10(5)21-14(20)11-9(4)17-18(12(11)15)7-8(2)3/h8,10H,6-7H2,1-5H3,(H,16,19)/t10-/m0/s1