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

Systemtic Name: 3,3-bis(hydroxymethyl)-5-[2-(4-methylphenyl)hydrazinyl]-2H-1,4-oxazin-4-ium-6-one Openeye Name: 3,3-bis(hydroxymethyl)-5-[2-(p-tolyl)hydrazino]-2H-1,4-oxazin-4-ium-6-one CAS Name: 3,3-bis(hydroxymethyl)-5-[(4-methylphenyl)hydrazo]-2H-1,4-oxazin-4-ium-6-one IUPAC Name: 3,3-bis(hydroxymethyl)-5-[2-(4-methylphenyl)hydrazinyl]-2H-1,4-oxazin-4-ium-6-one Traditional Name: 3,3-dimethylol-5-[N'-(p-tolyl)hydrazino]-2H-1,4-oxazin-4-ium-6-one Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-9-2-4-10(5-3-9)15-16-11-12(19)20-8-13(6-17,7-18)14-11/h2-5,15,17-18H,6-8H2,1H3,(H,14,16)/p+1