(2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanedioate

Systemtic Name: (2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanedioate Openeye Name: (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanedioate CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]butanedioate IUPAC Name: (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]succinate Formula: C13H10N4O6-2 MolecularWeight: 318.2417

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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)N[C@@H](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)/p-2/t9-/m0/s1