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

Systemtic Name: 3-(2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: 3-(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 3-(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=CC=CC=C2O1)CCC(=O)O)C

Isomeric SMILES

CC1(C(=O)N(C2=CC=CC=C2O1)CCC(=O)O)C

InChI

InChI=1S/C13H15NO4/c1-13(2)12(17)14(8-7-11(15)16)9-5-3-4-6-10(9)18-13/h3-6H,7-8H2,1-2H3,(H,15,16)