3-[3,5-bis(oxidanylidene)heptan-4-yloxy]benzenecarbonitrile

Systemtic Name: 3-[3,5-bis(oxidanylidene)heptan-4-yloxy]benzenecarbonitrile Openeye Name: 3-(2-oxo-1-propanoyl-butoxy)benzonitrile CAS Name: 3-(3,5-dioxoheptan-4-yloxy)benzonitrile IUPAC Name: 3-(3,5-dioxoheptan-4-yloxy)benzonitrile Traditional Name: 3-(2-keto-1-propionyl-butoxy)benzonitrile Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)CC)OC1=CC=CC(=C1)C#N

Isomeric SMILES

CCC(=O)C(C(=O)CC)OC1=CC=CC(=C1)C#N

InChI

InChI=1S/C14H15NO3/c1-3-12(16)14(13(17)4-2)18-11-7-5-6-10(8-11)9-15/h5-8,14H,3-4H2,1-2H3