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

Systemtic Name: 4-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]butanoic acid Openeye Name: 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]butanoic acid CAS Name: 4-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]butanoic acid IUPAC Name: 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]butanoic acid Traditional Name: 4-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]butyric acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c24-16(25)11-6-12-20-18(26)17(13-7-2-1-3-8-13)23-19(27)14-9-4-5-10-15(14)21-22-23/h1-5,7-10,17H,6,11-12H2,(H,20,26)(H,24,25)