4-[[(6-methyl-3-oxidanylidene-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-methyl-3-oxidanylidene-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-methyl-3-oxo-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6-methyl-3-oxo-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-methyl-3-oxo-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-keto-6-methyl-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid Formula: C12H16N4O3 MolecularWeight: 264.28044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(=O)NN1)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1C(NC(=O)NN1)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H16N4O3/c1-7-10(14-12(19)16-15-7)13-6-8-2-4-9(5-3-8)11(17)18/h2-5,7,10,13,15H,6H2,1H3,(H,17,18)(H2,14,16,19)