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

Systemtic Name: 3-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]propanoic acid Traditional Name: 3-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]propionic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c23-15(24)10-11-19-17(25)16(12-6-2-1-3-7-12)22-18(26)13-8-4-5-9-14(13)20-21-22/h1-9,16H,10-11H2,(H,19,25)(H,23,24)