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

Systemtic Name: 2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]glutaric acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H20N4O6/c26-18(27)11-10-16(21(30)31)22-19(28)17(12-13-6-2-1-3-7-13)25-20(29)14-8-4-5-9-15(14)23-24-25/h1-9,16-17H,10-12H2,(H,22,28)(H,26,27)(H,30,31)