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

Systemtic Name: 3-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]propanoate Openeye Name: 3-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]propanoate CAS Name: 3-[[1-oxo-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]propanoate IUPAC Name: 3-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]propanoate Traditional Name: 3-[6-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]propionate Formula: C16H19N4O4- MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCCCC(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCCCC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C16H20N4O4/c21-14(17-10-9-15(22)23)8-2-1-5-11-20-16(24)12-6-3-4-7-13(12)18-19-20/h3-4,6-7H,1-2,5,8-11H2,(H,17,21)(H,22,23)/p-1