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

Systemtic Name: 4-[[(3-oxidanylidene-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(3-oxo-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid CAS Name: 4-[[(3-oxo-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(3-oxo-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-keto-1,2,4-triazinan-5-yl)amino]methyl]benzoic acid Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)NN1)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C(NC(=O)NN1)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H14N4O3/c16-10(17)8-3-1-7(2-4-8)5-12-9-6-13-15-11(18)14-9/h1-4,9,12-13H,5-6H2,(H,16,17)(H2,14,15,18)