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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3/c1-8-11(14(20)21-9(2)13(16)19)12(15)18(17-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,16,19)/t9-/m1/s1