4,5,5-trimethyl-2-oxidanylidene-hept-6-ynenitrile

Systemtic Name: 4,5,5-trimethyl-2-oxidanylidene-hept-6-ynenitrile Openeye Name: 3,4,4-trimethylhex-5-ynoyl cyanide CAS Name: 4,5,5-trimethyl-2-oxo-6-heptynenitrile IUPAC Name: 3,4,4-trimethylhex-5-ynoyl cyanide Traditional Name: 2-keto-4,5,5-trimethyl-hept-6-ynenitrile Formula: C10H13NO MolecularWeight: 163.21632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C#N)C(C)(C)C#C

Isomeric SMILES

CC(CC(=O)C#N)C(C)(C)C#C

InChI

InChI=1S/C10H13NO/c1-5-10(3,4)8(2)6-9(12)7-11/h1,8H,6H2,2-4H3