N-methyl-N-[4-methyl-1-oxidanyl-5-(oxidanylamino)-5-oxidanylidene-pentan-2-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-methyl-N-[4-methyl-1-oxidanyl-5-(oxidanylamino)-5-oxidanylidene-pentan-2-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-(hydroxyamino)-1-(hydroxymethyl)-3-methyl-4-oxo-butyl]-N-methyl-5-nitro-thiophene-2-carboxamide CAS Name: N-[1-hydroxy-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-N-methyl-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[1-hydroxy-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-N-methyl-5-nitrothiophene-2-carboxamide Traditional Name: N-[4-(hydroxyamino)-4-keto-3-methyl-1-methylol-butyl]-N-methyl-5-nitro-thiophene-2-carboxamide Formula: C12H17N3O6S MolecularWeight: 331.34488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CO)N(C)C(=O)C1=CC=C(S1)[N+](=O)[O-])C(=O)NO

Isomeric SMILES

CC(CC(CO)N(C)C(=O)C1=CC=C(S1)[N+](=O)[O-])C(=O)NO

InChI

InChI=1S/C12H17N3O6S/c1-7(11(17)13-19)5-8(6-16)14(2)12(18)9-3-4-10(22-9)15(20)21/h3-4,7-8,16,19H,5-6H2,1-2H3,(H,13,17)