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

Systemtic Name: N-methyl-N-[4-methyl-1-oxidanyl-5-(oxidanylamino)-5-oxidanylidene-pentan-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(hydroxyamino)-1-(hydroxymethyl)-3-methyl-4-oxo-butyl]-N-methyl-4-nitro-benzamide CAS Name: N-[1-hydroxy-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[1-hydroxy-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[4-(hydroxyamino)-4-keto-3-methyl-1-methylol-butyl]-N-methyl-4-nitro-benzamide Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-9(13(19)15-21)7-12(8-18)16(2)14(20)10-3-5-11(6-4-10)17(22)23/h3-6,9,12,18,21H,7-8H2,1-2H3,(H,15,19)