[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN3O3/c1-9(15(21)19-12-6-7-12)23-16(22)13-8-18-20-14(13)10-2-4-11(17)5-3-10/h2-5,8-9,12H,6-7H2,1H3,(H,18,20)(H,19,21)/t9-/m1/s1