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

Systemtic Name: 2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanedioic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]succinic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c25-17(26)11-15(20(29)30)21-18(27)16(10-12-6-2-1-3-7-12)24-19(28)13-8-4-5-9-14(13)22-23-24/h1-9,15-16H,10-11H2,(H,21,27)(H,25,26)(H,29,30)