2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]pentanedioic acid Openeye Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]pentanedioic acid IUPAC Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanedioic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]glutaric acid Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H16N4O6/c1-8(13(22)16-11(15(24)25)6-7-12(20)21)19-14(23)9-4-2-3-5-10(9)17-18-19/h2-5,8,11H,6-7H2,1H3,(H,16,22)(H,20,21)(H,24,25)