3-[(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-4,4-dimethyl-3-oxo-pent-1-enyl]benzonitrile CAS Name: 3-[(E)-4,4-dimethyl-3-oxopent-1-enyl]benzonitrile IUPAC Name: 3-[(E)-4,4-dimethyl-3-oxopent-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-4,4-dimethyl-pent-1-enyl]benzonitrile Formula: C14H15NO MolecularWeight: 213.275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=CC1=CC=CC(=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO/c1-14(2,3)13(16)8-7-11-5-4-6-12(9-11)10-15/h4-9H,1-3H3/b8-7+