2,2,4-trimethyl-7-(2-methylidenebutanoyl)-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 2,2,4-trimethyl-7-(2-methylidenebutanoyl)-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 2,2,4-trimethyl-7-(2-methylenebutanoyl)-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 2,2,4-trimethyl-7-(2-methylene-1-oxobutyl)-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 2,2,4-trimethyl-7-(2-methylidenebutanoyl)-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 7-(2-ethylacryloyl)-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)C1=CC2=C(C=C1)C(C(=O)[N+](O2)(C)C)C

Isomeric SMILES

CCC(=C)C(=O)C1=CC2=C(C=C1)C(C(=O)[N+](O2)(C)C)C

InChI

InChI=1S/C16H20NO3/c1-6-10(2)15(18)12-7-8-13-11(3)16(19)17(4,5)20-14(13)9-12/h7-9,11H,2,6H2,1,3-5H3/q+1