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

Systemtic Name: 4-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid Openeye Name: 4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid CAS Name: 4-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]butanoic acid IUPAC Name: 4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid Traditional Name: 4-[2-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]butyric acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-2-3-9-14(16(24)18-11-6-10-15(22)23)21-17(25)12-7-4-5-8-13(12)19-20-21/h4-5,7-8,14H,2-3,6,9-11H2,1H3,(H,18,24)(H,22,23)