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

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1-methyl-1,2,3-triazol-4-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1-methyltriazol-4-yl)butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(1-methyl-4-triazolyl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(1-methyltriazol-4-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(1-methyltriazol-4-yl)butane-1,3-dione Formula: C14H14N4O6S MolecularWeight: 366.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CN(N=N1)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=CN(N=N1)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6S/c1-8(19)13(11-7-17(2)16-15-11)14(20)10-5-4-9(25(3,23)24)6-12(10)18(21)22/h4-7,13H,1-3H3