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

Systemtic Name: 4-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid Openeye Name: 4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid CAS Name: 4-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]butanoic acid IUPAC Name: 4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid Traditional Name: 4-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]butyric acid Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C(=O)NCCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H16N4O4/c1-9(13(21)15-8-4-7-12(19)20)18-14(22)10-5-2-3-6-11(10)16-17-18/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,21)(H,19,20)