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

Systemtic Name: 3-methyl-4-[6-methyl-3,4,5-tris(oxidanylidene)-1,2-diazinan-1-yl]benzoic acid Openeye Name: 3-methyl-4-(6-methyl-3,4,5-trioxo-hexahydropyridazin-1-yl)benzoic acid CAS Name: 3-methyl-4-(6-methyl-3,4,5-trioxo-1-diazinanyl)benzoic acid IUPAC Name: 3-methyl-4-(6-methyl-3,4,5-trioxodiazinan-1-yl)benzoic acid Traditional Name: 3-methyl-4-(3,4,5-triketo-6-methyl-hexahydropyridazin-1-yl)benzoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=O)C(=O)NN1C2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1C(=O)C(=O)C(=O)NN1C2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H12N2O5/c1-6-5-8(13(19)20)3-4-9(6)15-7(2)10(16)11(17)12(18)14-15/h3-5,7H,1-2H3,(H,14,18)(H,19,20)