[(1R)-2-oxidanylidene-1,2-diphenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(1R)-2-oxidanylidene-1,2-diphenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-2-oxo-1,2-diphenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(1R)-2-oxo-1,2-diphenylethyl] ester IUPAC Name: [(1R)-2-oxo-1,2-diphenylethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(1R)-2-keto-1,2-diphenyl-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-14-19(24(27)28)15(2)23(22-14)13-18(25)29-21(17-11-7-4-8-12-17)20(26)16-9-5-3-6-10-16/h3-12,21H,13H2,1-2H3/t21-/m1/s1