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

Systemtic Name: 4-[[(6-methylidene-5-oxidanylidene-1,2,4-triazin-3-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-methylene-5-oxo-1,2,4-triazin-3-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6-methylene-5-oxo-1,2,4-triazin-3-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-keto-6-methylene-1,2,4-triazin-3-yl)amino]methyl]benzoic acid Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=O)N=C(N=N1)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=C1C(=O)N=C(N=N1)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H10N4O3/c1-7-10(17)14-12(16-15-7)13-6-8-2-4-9(5-3-8)11(18)19/h2-5H,1,6H2,(H,18,19)(H,13,14,17)