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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H19N3O4/c1-16-8-6-13-22(17(16)2)26-23(15-21(25-26)18-9-4-3-5-10-18)31-24(28)19-11-7-12-20(14-19)27(29)30/h3-15H,1-2H3