2-(1-methyl-5-nitro-imidazol-2-yl)-1-nitro-1-(phenylsulfonyl)ethanol

Systemtic Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-1-nitro-1-(phenylsulfonyl)ethanol Openeye Name: 1-(benzenesulfonyl)-2-(1-methyl-5-nitro-imidazol-2-yl)-1-nitro-ethanol CAS Name: 1-(benzenesulfonyl)-2-(1-methyl-5-nitro-2-imidazolyl)-1-nitroethanol IUPAC Name: 1-(benzenesulfonyl)-2-(1-methyl-5-nitroimidazol-2-yl)-1-nitroethanol Traditional Name: 1-besyl-2-(1-methyl-5-nitro-imidazol-2-yl)-1-nitro-ethanol Formula: C12H12N4O7S MolecularWeight: 356.31128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CC([N+](=O)[O-])(O)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1CC([N+](=O)[O-])(O)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O7S/c1-14-10(13-8-11(14)15(18)19)7-12(17,16(20)21)24(22,23)9-5-3-2-4-6-9/h2-6,8,17H,7H2,1H3