2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanedioic acid

Systemtic Name: 2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanedioic acid Openeye Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]butanedioic acid IUPAC Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]succinic acid Formula: C17H20N4O6 MolecularWeight: 376.3639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C17H20N4O6/c1-3-9(2)14(15(24)18-12(17(26)27)8-13(22)23)21-16(25)10-6-4-5-7-11(10)19-20-21/h4-7,9,12,14H,3,8H2,1-2H3,(H,18,24)(H,22,23)(H,26,27)