[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-10(2)17-15(20)11(3)22-16(21)14-9-13(18-19-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1