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

Systemtic Name: 3-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 3-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]propionic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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