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

Systemtic Name: 4-[[3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid Openeye Name: 4-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid CAS Name: 4-[[3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]butanoic acid IUPAC Name: 4-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid Traditional Name: 4-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]butyric acid Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-10(2)14(15(23)17-9-5-8-13(21)22)20-16(24)11-6-3-4-7-12(11)18-19-20/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,17,23)(H,21,22)