[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H16ClN3O4 MolecularWeight: 433.84384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O4/c1-15-11-12-17(13-21(15)27(29)30)23(28)31-22-14-19(16-7-3-2-4-8-16)25-26(22)20-10-6-5-9-18(20)24/h2-14H,1H3