5-(5,5-dimethyl-2-oxidanylidene-hexan-3-yl)benzene-1,2,4-tricarbonitrile

Systemtic Name: 5-(5,5-dimethyl-2-oxidanylidene-hexan-3-yl)benzene-1,2,4-tricarbonitrile Openeye Name: 5-(1-acetyl-3,3-dimethyl-butyl)benzene-1,2,4-tricarbonitrile CAS Name: 5-(5,5-dimethyl-2-oxohexan-3-yl)benzene-1,2,4-tricarbonitrile IUPAC Name: 5-(5,5-dimethyl-2-oxohexan-3-yl)benzene-1,2,4-tricarbonitrile Traditional Name: 5-(1-acetyl-3,3-dimethyl-butyl)benzene-1,2,4-tricarbonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O/c1-11(21)16(7-17(2,3)4)15-6-13(9-19)12(8-18)5-14(15)10-20/h5-6,16H,7H2,1-4H3