ethyl 2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: ethyl 2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: ethyl 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetic acid ethyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)OCC)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)OCC)C

InChI

InChI=1S/C17H21NO5/c1-4-6-14(19)12-7-8-15-13(9-12)18(10-16(20)22-5-2)17(21)11(3)23-15/h7-9,11H,4-6,10H2,1-3H3/t11-/m1/s1