2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Openeye Name: 2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]-N-(4-fluorophenyl)-2-propenamide IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Traditional Name: 2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)acrylamide Formula: C22H17FN4O3 MolecularWeight: 404.393783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C(C#N)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C(C#N)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H17FN4O3/c1-14-10-16(15(2)26(14)20-4-3-5-21(12-20)27(29)30)11-17(13-24)22(28)25-19-8-6-18(23)7-9-19/h3-12H,1-2H3,(H,25,28)