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

Systemtic Name: N-methyl-4-nitro-N-[5-oxidanyl-1-(oxidanylamino)-1-oxidanylidene-2-(phenylmethyl)pentan-2-yl]benzamide Openeye Name: N-[1-benzyl-4-hydroxy-1-(hydroxycarbamoyl)butyl]-N-methyl-4-nitro-benzamide CAS Name: N-[5-hydroxy-1-(hydroxyamino)-1-oxo-2-(phenylmethyl)pentan-2-yl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[2-benzyl-5-hydroxy-1-(hydroxyamino)-1-oxopentan-2-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[1-benzyl-4-hydroxy-1-(hydroxycarbamoyl)butyl]-N-methyl-4-nitro-benzamide Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(CCCO)(CC2=CC=CC=C2)C(=O)NO

Isomeric SMILES

CN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(CCCO)(CC2=CC=CC=C2)C(=O)NO

InChI

InChI=1S/C20H23N3O6/c1-22(18(25)16-8-10-17(11-9-16)23(28)29)20(12-5-13-24,19(26)21-27)14-15-6-3-2-4-7-15/h2-4,6-11,24,27H,5,12-14H2,1H3,(H,21,26)