1-(4-methylsulfonyl-2-nitro-phenyl)-2-(2H-1,2,3-triazol-4-yl)butane-1,3-dione

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(2H-1,2,3-triazol-4-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(2H-triazol-4-yl)butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(2H-triazol-4-yl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(2H-triazol-4-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(2H-triazol-4-yl)butane-1,3-dione Formula: C13H12N4O6S MolecularWeight: 352.32258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NNN=C1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=NNN=C1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O6S/c1-7(18)12(10-6-14-16-15-10)13(19)9-4-3-8(24(2,22)23)5-11(9)17(20)21/h3-6,12H,1-2H3,(H,14,15,16)