[2-[3-methyl-5-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]phenyl] benzoate

Systemtic Name: [2-[3-methyl-5-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]phenyl] benzoate Openeye Name: [2-[3-methyl-5-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [2-[3-methyl-5-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]phenyl] ester IUPAC Name: [2-[3-methyl-5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-methyl-5-(3-nitrophenyl)-1-phenyl-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=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

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

InChI

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