2-[[4-[(4-oxidanylidene-1H-1,2,3-benzotriazin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(4-oxidanylidene-1H-1,2,3-benzotriazin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(4-oxo-1H-1,2,3-benzotriazin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[(4-oxo-1H-1,2,3-benzotriazin-6-yl)methylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(4-oxo-1H-1,2,3-benzotriazin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-keto-1H-1,2,3-benzotriazin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)NN=NC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)NN=NC3=O

InChI

InChI=1S/C20H19N5O6/c26-17(27)8-7-16(20(30)31)22-18(28)12-2-4-13(5-3-12)21-10-11-1-6-15-14(9-11)19(29)24-25-23-15/h1-6,9,16,21H,7-8,10H2,(H,22,28)(H,26,27)(H,30,31)(H,23,24,29)