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

Systemtic Name: [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-fluorophenyl)-5-phenylpyrazol-3-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H13ClFN3O4 MolecularWeight: 437.807723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C22H13ClFN3O4/c23-18-11-6-15(12-20(18)27(29)30)22(28)31-21-13-19(14-4-2-1-3-5-14)25-26(21)17-9-7-16(24)8-10-17/h1-13H