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

Systemtic Name: (2S)-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-2-phenyl-acetate CAS Name: (2S)-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-2-phenylacetate Traditional Name: (2S)-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]-2-phenyl-acetate Formula: C19H17N4O4- MolecularWeight: 365.36268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)[O-])NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18N4O4/c24-16(20-17(19(26)27)13-7-2-1-3-8-13)11-6-12-23-18(25)14-9-4-5-10-15(14)21-22-23/h1-5,7-10,17H,6,11-12H2,(H,20,24)(H,26,27)/p-1/t17-/m0/s1