3-[5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrol-3-yl]benzenecarbonitrile Openeye Name: 3-[5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrol-3-yl]benzonitrile CAS Name: 3-[5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrol-3-yl]benzonitrile IUPAC Name: 3-[5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrol-3-yl]benzonitrile Traditional Name: 3-[5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)-1H-pyrrol-3-yl]benzonitrile Formula: C18H9ClF3N3O2 MolecularWeight: 391.73117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(NC(=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(NC(=C2[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(F)(F)F)C#N

InChI

InChI=1S/C18H9ClF3N3O2/c19-13-6-4-11(5-7-13)15-16(25(26)27)14(17(24-15)18(20,21)22)12-3-1-2-10(8-12)9-23/h1-8,24H