6-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]hexanoic acid

Systemtic Name: 6-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]hexanoic acid Openeye Name: 6-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]hexanoic acid CAS Name: 6-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]hexanoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCCCCCC(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NCCCCCC(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O4/c26-18(27)13-5-2-8-14-22-20(28)19(15-9-3-1-4-10-15)25-21(29)16-11-6-7-12-17(16)23-24-25/h1,3-4,6-7,9-12,19H,2,5,8,13-14H2,(H,22,28)(H,26,27)