2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanedioic acid Openeye Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]butanedioic acid IUPAC Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanedioic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]succinic acid Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H12N4O6/c18-10(14-9(13(22)23)5-11(19)20)6-17-12(21)7-3-1-2-4-8(7)15-16-17/h1-4,9H,5-6H2,(H,14,18)(H,19,20)(H,22,23)