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

Systemtic Name: 2-methylpropyl 2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isobutyl 2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetic acid isobutyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-10(2)9-22-16(20)8-18-14-7-13(11(3)19)5-6-15(14)23-12(4)17(18)21/h5-7,10,12H,8-9H2,1-4H3/t12-/m0/s1