[5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3-bromanylbenzoate

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3-bromanylbenzoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C23H16BrN3O6S MolecularWeight: 542.35864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrN3O6S/c1-15-21(34(31,32)20-12-10-19(11-13-20)27(29)30)22(26(25-15)18-8-3-2-4-9-18)33-23(28)16-6-5-7-17(24)14-16/h2-14H,1H3