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

Systemtic Name: 2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanenitrile Openeye Name: 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetonitrile CAS Name: 2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetonitrile Traditional Name: 2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)acetonitrile Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-4-5-13(19)11-6-7-14-12(10-11)18(9-8-17)15(20)16(2,3)21-14/h6-7,10H,4-5,9H2,1-3H3