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

Systemtic Name: 2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanenitrile Openeye Name: 2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)acetonitrile CAS Name: 2-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)acetonitrile Traditional Name: 2-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)acetonitrile Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-2-3-12(17)10-4-5-13-11(8-10)16(7-6-15)14(18)9-19-13/h4-5,8H,2-3,7,9H2,1H3