5-(hydroxymethyl)-7'-methyl-5-nitro-spiro[1,3-dioxane-2,3'-1H-indole]-2'-one

Systemtic Name: 5-(hydroxymethyl)-7'-methyl-5-nitro-spiro[1,3-dioxane-2,3'-1H-indole]-2'-one Openeye Name: 5-(hydroxymethyl)-7'-methyl-5-nitro-spiro[1,3-dioxane-2,3'-indoline]-2'-one CAS Name: 5-(hydroxymethyl)-7'-methyl-5-nitro-2'-spiro[1,3-dioxane-2,3'-1H-indole]one IUPAC Name: 5-(hydroxymethyl)-7'-methyl-5-nitrospiro[1,3-dioxane-2,3'-1H-indole]-2'-one Traditional Name: 7'-methyl-5-methylol-5-nitro-spiro[1,3-dioxane-2,3'-indoline]-2'-one Formula: C13H14N2O6 MolecularWeight: 294.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C23OCC(CO3)(CO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C23OCC(CO3)(CO)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-8-3-2-4-9-10(8)14-11(17)13(9)20-6-12(5-16,7-21-13)15(18)19/h2-4,16H,5-7H2,1H3,(H,14,17)