4-methyl-4-(5-methylfuran-2-yl)carbonyl-heptanedinitrile

Systemtic Name: 4-methyl-4-(5-methylfuran-2-yl)carbonyl-heptanedinitrile Openeye Name: 4-methyl-4-(5-methylfuran-2-carbonyl)heptanedinitrile CAS Name: 4-methyl-4-[(5-methyl-2-furanyl)-oxomethyl]heptanedinitrile IUPAC Name: 4-methyl-4-(5-methylfuran-2-carbonyl)heptanedinitrile Traditional Name: 4-methyl-4-(5-methyl-2-furoyl)pimelonitrile Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C(C)(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(O1)C(=O)C(C)(CCC#N)CCC#N

InChI

InChI=1S/C14H16N2O2/c1-11-5-6-12(18-11)13(17)14(2,7-3-9-15)8-4-10-16/h5-6H,3-4,7-8H2,1-2H3