4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-keto-prop-1-enyl]benzonitrile Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C#N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)C#N)/C#N

InChI

InChI=1S/C21H18N2O/c1-21(2,3)19-10-8-17(9-11-19)20(24)18(14-23)12-15-4-6-16(13-22)7-5-15/h4-12H,1-3H3/b18-12+