2,2-dimethyl-3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 2,2-dimethyl-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 2,2-dimethyl-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 2,2-dimethyl-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-2,2-dimethyl-propionic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(C)(C)C(=O)O

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(C)(C)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-9-12(16)15(8-14(2,3)13(17)18)10-6-4-5-7-11(10)19-9/h4-7,9H,8H2,1-3H3,(H,17,18)/t9-/m1/s1