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

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C20H16FN3O5 MolecularWeight: 397.356543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O5/c1-12-19(24(27)28)13(2)23(22-12)11-18(25)29-17-9-5-15(6-10-17)20(26)14-3-7-16(21)8-4-14/h3-10H,11H2,1-2H3