4-[[3-ethyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-ethyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-ethyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrol-1-yl]methyl]benzonitrile CAS Name: 4-[[3-ethyl-2,5-dimethyl-4-(4-nitrophenyl)-1-pyrrolyl]methyl]benzonitrile IUPAC Name: 4-[[3-ethyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrol-1-yl]methyl]benzonitrile Traditional Name: 4-[[3-ethyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrol-1-yl]methyl]benzonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCC1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H21N3O2/c1-4-21-15(2)24(14-18-7-5-17(13-23)6-8-18)16(3)22(21)19-9-11-20(12-10-19)25(26)27/h5-12H,4,14H2,1-3H3