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

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-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-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5/c1-11-15(21(24)25)12(2)20(18-11)10-14(22)26-16(17(23)19(3)4)13-8-6-5-7-9-13/h5-9,16H,10H2,1-4H3/t16-/m1/s1