2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoylamino]ethanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoylamino]ethanoic acid Openeye Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoylamino]acetic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]acetic acid IUPAC Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoylamino]acetic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)pentanoylamino]acetic acid Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCCC(C(=O)NCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H16N4O4/c1-2-5-11(13(21)15-8-12(19)20)18-14(22)9-6-3-4-7-10(9)16-17-18/h3-4,6-7,11H,2,5,8H2,1H3,(H,15,21)(H,19,20)