[2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] 4-nitrobenzoate

Systemtic Name: [2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] 4-nitrobenzoate Openeye Name: [2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(3-methyl-1,5-diphenyl-4-pyrazolyl)phenyl] ester IUPAC Name: [2-(3-methyl-1,5-diphenylpyrazol-4-yl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(3-methyl-1,5-diphenyl-pyrazol-4-yl)phenyl] ester Formula: C29H21N3O4 MolecularWeight: 475.49474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H21N3O4/c1-20-27(28(21-10-4-2-5-11-21)31(30-20)23-12-6-3-7-13-23)25-14-8-9-15-26(25)36-29(33)22-16-18-24(19-17-22)32(34)35/h2-19H,1H3