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

Systemtic Name: 3-[(2R)-2-ethyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-2-ethyl-3-keto-6-methyl-1,4-benzoxazin-4-yl]propionate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-3-11-14(18)15(7-6-13(16)17)10-8-9(2)4-5-12(10)19-11/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,17)/p-1/t11-/m1/s1