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

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

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18N4O4/c1-12(23-18(25)14-9-5-6-10-15(14)21-22-23)17(24)20-16(19(26)27)11-13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3,(H,20,24)(H,26,27)