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

Systemtic Name: 2-(2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 2-(3-keto-2,6-dimethyl-1,4-benzoxazin-4-yl)propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C)C(C)C(=O)O

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)C)C(C)C(=O)O

InChI

InChI=1S/C13H15NO4/c1-7-4-5-11-10(6-7)14(8(2)13(16)17)12(15)9(3)18-11/h4-6,8-9H,1-3H3,(H,16,17)