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

Systemtic Name: [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-fluorophenyl)-5-phenylpyrazol-3-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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