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

Systemtic Name: [(1R)-1-phenylethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-1-phenylethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-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)-1-phenylethyl] ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c1-10-15(18(20)21)11(2)17(16-10)9-14(19)22-12(3)13-7-5-4-6-8-13/h4-8,12H,9H2,1-3H3/t12-/m1/s1