3,3-bis(hydroxymethyl)-5-[2-(2-methyl-5-nitro-phenyl)hydrazinyl]-2H-1,4-oxazin-4-ium-6-one

Systemtic Name: 3,3-bis(hydroxymethyl)-5-[2-(2-methyl-5-nitro-phenyl)hydrazinyl]-2H-1,4-oxazin-4-ium-6-one Openeye Name: 3,3-bis(hydroxymethyl)-5-[2-(2-methyl-5-nitro-phenyl)hydrazino]-2H-1,4-oxazin-4-ium-6-one CAS Name: 3,3-bis(hydroxymethyl)-5-[(2-methyl-5-nitrophenyl)hydrazo]-2H-1,4-oxazin-4-ium-6-one IUPAC Name: 3,3-bis(hydroxymethyl)-5-[2-(2-methyl-5-nitrophenyl)hydrazinyl]-2H-1,4-oxazin-4-ium-6-one Traditional Name: 5-[N'-(2-methyl-5-nitro-phenyl)hydrazino]-3,3-dimethylol-2H-1,4-oxazin-4-ium-6-one Formula: C13H17N4O6+ MolecularWeight: 325.29728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NNC2=[NH+]C(COC2=O)(CO)CO

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NNC2=[NH+]C(COC2=O)(CO)CO

InChI

InChI=1S/C13H16N4O6/c1-8-2-3-9(17(21)22)4-10(8)15-16-11-12(20)23-7-13(5-18,6-19)14-11/h2-4,15,18-19H,5-7H2,1H3,(H,14,16)/p+1