N-methyl-4-nitro-N-[1-oxidanyl-4-(oxidanylcarbamoyl)-7-phenyl-heptan-2-yl]benzamide

Systemtic Name: N-methyl-4-nitro-N-[1-oxidanyl-4-(oxidanylcarbamoyl)-7-phenyl-heptan-2-yl]benzamide Openeye Name: N-[3-(hydroxycarbamoyl)-1-(hydroxymethyl)-6-phenyl-hexyl]-N-methyl-4-nitro-benzamide CAS Name: N-[1-hydroxy-4-[(hydroxyamino)-oxomethyl]-7-phenylheptan-2-yl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[1-hydroxy-4-(hydroxycarbamoyl)-7-phenylheptan-2-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[3-(hydroxycarbamoyl)-1-methylol-6-phenyl-hexyl]-N-methyl-4-nitro-benzamide Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(CCCC1=CC=CC=C1)C(=O)NO)CO)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C(CC(CCCC1=CC=CC=C1)C(=O)NO)CO)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6/c1-24(22(28)17-10-12-19(13-11-17)25(30)31)20(15-26)14-18(21(27)23-29)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,18,20,26,29H,5,8-9,14-15H2,1H3,(H,23,27)