[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 3-nitrobenzoate

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H14ClN3O4 MolecularWeight: 419.81726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C22H14ClN3O4/c23-18-11-4-5-12-20(18)25-21(14-19(24-25)15-7-2-1-3-8-15)30-22(27)16-9-6-10-17(13-16)26(28)29/h1-14H