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

Systemtic Name: (2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]pentanedioate Openeye Name: (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanedioate CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]glutarate Formula: C14H12N4O6-2 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H14N4O6/c19-11(15-10(14(23)24)5-6-12(20)21)7-18-13(22)8-3-1-2-4-9(8)16-17-18/h1-4,10H,5-7H2,(H,15,19)(H,20,21)(H,23,24)/p-2/t10-/m0/s1