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

Systemtic Name: 2-[[4-(6-azanyl-3-oxidanylidene-1,2,4-benzotriazin-2-yl)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(6-amino-3-keto-1,2,4-benzotriazin-2-yl)benzoyl]amino]glutaric acid Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N2C(=O)N=C3C=C(C=CC3=N2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N2C(=O)N=C3C=C(C=CC3=N2)N

InChI

InChI=1S/C19H17N5O6/c20-11-3-6-13-15(9-11)22-19(30)24(23-13)12-4-1-10(2-5-12)17(27)21-14(18(28)29)7-8-16(25)26/h1-6,9,14H,7-8,20H2,(H,21,27)(H,25,26)(H,28,29)