(2S)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-acetate CAS Name: (2S)-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenylacetate Traditional Name: (2S)-2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-2-phenyl-acetate Formula: C18H15N4O4- MolecularWeight: 351.3361

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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@@H](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)/p-1/t16-/m0/s1