2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-acetic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]-2-phenylacetic acid IUPAC Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenylacetic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-acetic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-11(22-17(24)13-9-5-6-10-14(13)20-21-22)16(23)19-15(18(25)26)12-7-3-2-4-8-12/h2-11,15H,1H3,(H,19,23)(H,25,26)