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

Systemtic Name: methyl 6-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]hexanoate Openeye Name: methyl 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]hexanoic acid methyl ester IUPAC Name: methyl 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]hexanoic acid methyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

InChI

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