[2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(3-fluorophenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl] ester Formula: C18H14FN3O4 MolecularWeight: 355.319863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC(=CC=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC(=CC=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN3O4/c1-11-6-7-13(9-16(11)22(24)25)18(23)26-17-8-12(2)20-21(17)15-5-3-4-14(19)10-15/h3-10H,1-2H3