3-(6,8-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid

Systemtic Name: 3-(6,8-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: 3-(6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-(6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 3-(6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(3-keto-6,8-dimethyl-1,4-benzoxazin-4-yl)propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=O)CO2)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=O)CO2)CCC(=O)O)C

InChI

InChI=1S/C13H15NO4/c1-8-5-9(2)13-10(6-8)14(4-3-12(16)17)11(15)7-18-13/h5-6H,3-4,7H2,1-2H3,(H,16,17)