2-methylpropyl (2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(C)C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C17H21NO5/c1-10(2)8-23-17(21)11(3)18-14-7-13(12(4)19)5-6-15(14)22-9-16(18)20/h5-7,10-11H,8-9H2,1-4H3/t11-/m0/s1