methyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: methyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate Openeye Name: methyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(6-acetyl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)butyric acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-6-12(15(20)22-5)18-13-9-11(10(2)19)7-8-14(13)23-17(3,4)16(18)21/h7-9,12H,6H2,1-5H3/t12-/m0/s1