3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-3-methyl-butyric acid Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4/c1-8(2)12(15(22)23)16-13(20)9(3)19-14(21)10-6-4-5-7-11(10)17-18-19/h4-9,12H,1-3H3,(H,16,20)(H,22,23)