N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-(2-hydroxy-1,1-dimethylol-ethyl)-4-methoxy-3-nitro-benzamide Formula: C12H16N2O7 MolecularWeight: 300.26464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CO)(CO)CO)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CO)(CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O7/c1-21-10-3-2-8(4-9(10)14(19)20)11(18)13-12(5-15,6-16)7-17/h2-4,15-17H,5-7H2,1H3,(H,13,18)