2-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]ethanoic acid

Systemtic Name: 2-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]ethanoic acid Openeye Name: 2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]acetic acid CAS Name: 2-[[1-oxo-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]acetic acid IUPAC Name: 2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]acetic acid Traditional Name: 2-[6-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]acetic acid Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCCCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C15H18N4O4/c20-13(16-10-14(21)22)8-2-1-5-9-19-15(23)11-6-3-4-7-12(11)17-18-19/h3-4,6-7H,1-2,5,8-10H2,(H,16,20)(H,21,22)