N-methyl-4-nitro-N-[1-oxidanyl-4-(oxidanylcarbamoyl)hept-6-en-2-yl]benzamide

Systemtic Name: N-methyl-4-nitro-N-[1-oxidanyl-4-(oxidanylcarbamoyl)hept-6-en-2-yl]benzamide Openeye Name: N-[3-(hydroxycarbamoyl)-1-(hydroxymethyl)hex-5-enyl]-N-methyl-4-nitro-benzamide CAS Name: N-[1-hydroxy-4-[(hydroxyamino)-oxomethyl]hept-6-en-2-yl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[1-hydroxy-4-(hydroxycarbamoyl)hept-6-en-2-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[3-(hydroxycarbamoyl)-1-methylol-hex-5-enyl]-N-methyl-4-nitro-benzamide Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-3-4-12(15(21)17-23)9-14(10-20)18(2)16(22)11-5-7-13(8-6-11)19(24)25/h3,5-8,12,14,20,23H,1,4,9-10H2,2H3,(H,17,21)