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

Systemtic Name: 2-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]pentanedioic acid IUPAC Name: 2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]glutaric acid Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-3-10(2)15(16(25)19-13(18(27)28)8-9-14(23)24)22-17(26)11-6-4-5-7-12(11)20-21-22/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,19,25)(H,23,24)(H,27,28)