[2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-nitrobenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-nitrobenzoate Openeye Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-besyl-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O6S/c1-16-13-14-21(17(2)15-16)27-24(34-25(29)20-11-7-8-12-22(20)28(30)31)23(18(3)26-27)35(32,33)19-9-5-4-6-10-19/h4-15H,1-3H3