[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S/c1-14-17(12-9-13-18(14)25(27)28)21(26)31-20-19(15(2)23-24(20)22(3,4)5)32(29,30)16-10-7-6-8-11-16/h6-13H,1-5H3