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

Systemtic Name: 2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenyl-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)O)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

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

InChI

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