2-[(2,2,4-trimethyl-3-oxidanylidene-4H-1,2-benzoxazin-2-ium-7-yl)carbonyl]prop-2-enyl ethanoate

Systemtic Name: 2-[(2,2,4-trimethyl-3-oxidanylidene-4H-1,2-benzoxazin-2-ium-7-yl)carbonyl]prop-2-enyl ethanoate Openeye Name: 2-(2,2,4-trimethyl-3-oxo-4H-1,2-benzoxazin-2-ium-7-carbonyl)allyl acetate CAS Name: acetic acid 2-[oxo-(2,2,4-trimethyl-3-oxo-4H-1,2-benzoxazin-2-ium-7-yl)methyl]prop-2-enyl ester IUPAC Name: 2-(2,2,4-trimethyl-3-oxo-4H-1,2-benzoxazin-2-ium-7-carbonyl)prop-2-enyl acetate Traditional Name: acetic acid 2-(3-keto-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-7-carbonyl)allyl ester Formula: C17H20NO5+ MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)C(=O)C(=C)COC(=O)C)O[N+](C1=O)(C)C

Isomeric SMILES

CC1C2=C(C=C(C=C2)C(=O)C(=C)COC(=O)C)O[N+](C1=O)(C)C

InChI

InChI=1S/C17H20NO5/c1-10(9-22-12(3)19)16(20)13-6-7-14-11(2)17(21)18(4,5)23-15(14)8-13/h6-8,11H,1,9H2,2-5H3/q+1