4-methanoyl-1-(trifluoromethyl)cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 4-methanoyl-1-(trifluoromethyl)cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 4-formyl-1-(trifluoromethyl)cyclohexa-2,5-diene-1-carbonitrile CAS Name: 4-formyl-1-(trifluoromethyl)-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 4-formyl-1-(trifluoromethyl)cyclohexa-2,5-diene-1-carbonitrile Traditional Name: 4-formyl-1-(trifluoromethyl)cyclohexa-2,5-diene-1-carbonitrile Formula: C9H6F3NO MolecularWeight: 201.14525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1C=O)(C#N)C(F)(F)F

Isomeric SMILES

C1=CC(C=CC1C=O)(C#N)C(F)(F)F

InChI

InChI=1S/C9H6F3NO/c10-9(11,12)8(6-13)3-1-7(5-14)2-4-8/h1-5,7H