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

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

C1=CC=C(C=C1)C(C(=O)O)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

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