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

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,3,4-tetrazol-2-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(tetrazol-2-yl)butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(2-tetrazolyl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(tetrazol-2-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(tetrazol-2-yl)butane-1,3-dione Formula: C12H11N5O6S MolecularWeight: 353.31064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2N=CN=N2

Isomeric SMILES

CC(=O)C(C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2N=CN=N2

InChI

InChI=1S/C12H11N5O6S/c1-7(18)11(16-14-6-13-15-16)12(19)9-4-3-8(24(2,22)23)5-10(9)17(20)21/h3-6,11H,1-2H3