3-(7-butanoyl-2,2-dimethyl-3-oxidanylidene-4H-1,2-benzoxazin-2-ium-4-yl)propanenitrile

Systemtic Name: 3-(7-butanoyl-2,2-dimethyl-3-oxidanylidene-4H-1,2-benzoxazin-2-ium-4-yl)propanenitrile Openeye Name: 3-(7-butanoyl-2,2-dimethyl-3-oxo-4H-1,2-benzoxazin-2-ium-4-yl)propanenitrile CAS Name: 3-[2,2-dimethyl-3-oxo-7-(1-oxobutyl)-4H-1,2-benzoxazin-2-ium-4-yl]propanenitrile IUPAC Name: 3-(7-butanoyl-2,2-dimethyl-3-oxo-4H-1,2-benzoxazin-2-ium-4-yl)propanenitrile Traditional Name: 3-(7-butyryl-3-keto-2,2-dimethyl-4H-1,2-benzoxazin-2-ium-4-yl)propionitrile Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O3/c1-4-6-15(20)12-8-9-13-14(7-5-10-18)17(21)19(2,3)22-16(13)11-12/h8-9,11,14H,4-7H2,1-3H3/q+1