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

Systemtic Name: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-11(15(20)17-8-9-22-2)23-16(21)14-10-13(18-19-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1