4-heptyl-1,2-oxazole-3,5-dicarbonitrile

Systemtic Name: 4-heptyl-1,2-oxazole-3,5-dicarbonitrile Openeye Name: 4-heptylisoxazole-3,5-dicarbonitrile CAS Name: 4-heptylisoxazole-3,5-dicarbonitrile IUPAC Name: 4-heptyl-1,2-oxazole-3,5-dicarbonitrile Traditional Name: 4-heptylisoxazole-3,5-dicarbonitrile Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(ON=C1C#N)C#N

Isomeric SMILES

CCCCCCCC1=C(ON=C1C#N)C#N

InChI

InChI=1S/C12H15N3O/c1-2-3-4-5-6-7-10-11(8-13)15-16-12(10)9-14/h2-7H2,1H3