6-butanoyl-2,3-dihydro-1,4-benzodioxine-2-carbonitrile

Systemtic Name: 6-butanoyl-2,3-dihydro-1,4-benzodioxine-2-carbonitrile Openeye Name: 6-butanoyl-2,3-dihydro-1,4-benzodioxine-2-carbonitrile CAS Name: 6-(1-oxobutyl)-2,3-dihydro-1,4-benzodioxin-2-carbonitrile IUPAC Name: 6-butanoyl-2,3-dihydro-1,4-benzodioxine-2-carbonitrile Traditional Name: 6-butyryl-2,3-dihydro-1,4-benzodioxin-2-carbonitrile Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(CO2)C#N

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OC(CO2)C#N

InChI

InChI=1S/C13H13NO3/c1-2-3-11(15)9-4-5-12-13(6-9)16-8-10(7-14)17-12/h4-6,10H,2-3,8H2,1H3