6-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C16H20N4O4/c21-14(17-10-5-1-2-8-15(22)23)9-11-20-16(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