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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6/c1-9(2)7-13(15(24)18-12(17(26)27)8-14(22)23)21-16(25)10-5-3-4-6-11(10)19-20-21/h3-6,9,12-13H,7-8H2,1-2H3,(H,18,24)(H,22,23)(H,26,27)