2-[(3E)-2,2-dimethyl-3-[oxidanyl(phenyl)methylidene]-5-phenyl-pyrrol-1-ium-1-ylidene]propanedinitrile

Systemtic Name: 2-[(3E)-2,2-dimethyl-3-[oxidanyl(phenyl)methylidene]-5-phenyl-pyrrol-1-ium-1-ylidene]propanedinitrile Openeye Name: 2-[(3E)-3-[hydroxy(phenyl)methylene]-2,2-dimethyl-5-phenyl-pyrrol-1-ium-1-ylidene]propanedinitrile CAS Name: 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2,2-dimethyl-5-phenyl-1-pyrrol-1-iumylidene]propanedinitrile IUPAC Name: 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2,2-dimethyl-5-phenylpyrrol-1-ium-1-ylidene]propanedinitrile Traditional Name: 2-[(3E)-3-[hydroxy(phenyl)methylene]-2,2-dimethyl-5-phenyl-2-pyrrolin-1-ium-1-ylidene]malononitrile Formula: C22H18N3O+ MolecularWeight: 340.39782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=CC=CC=C2)O)C=C([N+]1=C(C#N)C#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1(/C(=C(\C2=CC=CC=C2)/O)/C=C([N+]1=C(C#N)C#N)C3=CC=CC=C3)C

InChI

InChI=1S/C22H17N3O/c1-22(2)19(21(26)17-11-7-4-8-12-17)13-20(16-9-5-3-6-10-16)25(22)18(14-23)15-24/h3-13H,1-2H3/p+1/b21-19+