(2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid

Systemtic Name: (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid Openeye Name: (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid CAS Name: (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid IUPAC Name: (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid Traditional Name: (2S)-2-(6-acetyl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)butyric acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

Isomeric SMILES

CC[C@@H](C(=O)O)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

InChI

InChI=1S/C16H19NO5/c1-5-11(14(19)20)17-12-8-10(9(2)18)6-7-13(12)22-16(3,4)15(17)21/h6-8,11H,5H2,1-4H3,(H,19,20)/t11-/m0/s1