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

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C21H14BrN3O7S MolecularWeight: 532.32076

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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=C(O3)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=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H14BrN3O7S/c1-13-19(33(29,30)16-9-7-15(8-10-16)25(27)28)20(24(23-13)14-5-3-2-4-6-14)32-21(26)17-11-12-18(22)31-17/h2-12H,1H3