(E)-[1-(dicyanomethylidene)-2,2-dimethyl-5-phenyl-pyrrol-1-ium-3-ylidene]-phenyl-methanolate

Systemtic Name: (E)-[1-(dicyanomethylidene)-2,2-dimethyl-5-phenyl-pyrrol-1-ium-3-ylidene]-phenyl-methanolate Openeye Name: (E)-[1-(dicyanomethylene)-2,2-dimethyl-5-phenyl-pyrrol-1-ium-3-ylidene]-phenyl-methanolate CAS Name: (E)-[1-(dicyanomethylidene)-2,2-dimethyl-5-phenyl-3-pyrrol-1-iumylidene]-phenylmethanolate IUPAC Name: (E)-[1-(dicyanomethylidene)-2,2-dimethyl-5-phenylpyrrol-1-ium-3-ylidene]-phenylmethanolate Traditional Name: (E)-[1-(dicyanomethylene)-2,2-dimethyl-5-phenyl-2-pyrrolin-1-ium-3-ylidene]-phenyl-methanolate Formula: C22H17N3O MolecularWeight: 339.38988

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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/b21-19+