methyl 2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: methyl 2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: methyl 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)acetic acid methyl 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)OC)(C)C

Isomeric SMILES

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

InChI

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