[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] benzoate

Systemtic Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] benzoate Openeye Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] benzoate CAS Name: benzoic acid [2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-phenylpyrazol-3-yl] benzoate Traditional Name: benzoic acid [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H15N3O4 MolecularWeight: 385.3722

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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)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O4/c26-22(17-9-5-2-6-10-17)29-21-15-20(16-7-3-1-4-8-16)23-24(21)18-11-13-19(14-12-18)25(27)28/h1-15H