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

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C23H16ClN3O6S MolecularWeight: 497.90764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H16ClN3O6S/c1-15-21(34(31,32)18-10-6-3-7-11-18)22(26(25-15)17-8-4-2-5-9-17)33-23(28)16-12-13-19(24)20(14-16)27(29)30/h2-14H,1H3