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

Systemtic Name: [4-(phenylcarbonyl)phenyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-benzoylphenyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-benzoylphenyl) ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-13-19(23(26)27)14(2)22(21-13)12-18(24)28-17-10-8-16(9-11-17)20(25)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3