propyl (2S)-2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: propyl (2S)-2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: propyl (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid propyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-5-8-22-17(21)10(2)18-14-9-13(11(3)19)6-7-15(14)23-12(4)16(18)20/h6-7,9-10,12H,5,8H2,1-4H3/t10-,12-/m0/s1