3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoylamino]propanoic acid Openeye Name: 3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoylamino]propanoic acid CAS Name: 3-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]propanoic acid IUPAC Name: 3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoylamino]propanoic acid Traditional Name: 3-[2-(4-keto-1,2,3-benzotriazin-3-yl)pentanoylamino]propionic acid Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCCC(C(=O)NCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4/c1-2-5-12(14(22)16-9-8-13(20)21)19-15(23)10-6-3-4-7-11(10)17-18-19/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,16,22)(H,20,21)