2-(2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid

Systemtic Name: 2-(2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid Openeye Name: 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid CAS Name: 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid IUPAC Name: 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid Traditional Name: 2-(3-keto-2,6-dimethyl-1,4-benzoxazin-4-yl)butyric acid Formula: C14H17NO4 MolecularWeight: 263.28908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C2=C(C=CC(=C2)C)OC(C1=O)C

Isomeric SMILES

CCC(C(=O)O)N1C2=C(C=CC(=C2)C)OC(C1=O)C

InChI

InChI=1S/C14H17NO4/c1-4-10(14(17)18)15-11-7-8(2)5-6-12(11)19-9(3)13(15)16/h5-7,9-10H,4H2,1-3H3,(H,17,18)