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

Systemtic Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-phenylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O4/c1-16-7-9-18(10-8-16)23(27)30-22-15-21(17-5-3-2-4-6-17)24-25(22)19-11-13-20(14-12-19)26(28)29/h2-15H,1H3