3-[(2R)-2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: 3-[(2R)-2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-3-keto-2,6-dimethyl-1,4-benzoxazin-4-yl]propionate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CCC(=O)[O-]

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C)CCC(=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-8-3-4-11-10(7-8)14(6-5-12(15)16)13(17)9(2)18-11/h3-4,7,9H,5-6H2,1-2H3,(H,15,16)/p-1/t9-/m1/s1