N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-4-oxidanylidene-butanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-4-oxo-butanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-oxobutanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-oxobutanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-4-keto-butyramide Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)CCC=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)CCC=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c16-7-1-2-12(18)14-11(8-17)13(19)9-3-5-10(6-4-9)15(20)21/h3-7,11,13,17,19H,1-2,8H2,(H,14,18)