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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)N)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C15H16ClN3O3/c1-9-12(15(21)22-10(2)14(17)20)13(16)19(18-9)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3,(H2,17,20)/t10-/m1/s1