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

Systemtic Name: butyl 2-[(2S)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: butyl 2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]acetic acid butyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)C

Isomeric SMILES

CCCCOC(=O)CN1C2=C(C=CC(=C2)C(=O)CC)O[C@H](C1=O)C

InChI

InChI=1S/C18H23NO5/c1-4-6-9-23-17(21)11-19-14-10-13(15(20)5-2)7-8-16(14)24-12(3)18(19)22/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m0/s1