3-[3,4-bis(bromanyl)phenyl]-5-nitro-2-(trifluoromethyl)pyrrole-1-carbonitrile

Systemtic Name: 3-[3,4-bis(bromanyl)phenyl]-5-nitro-2-(trifluoromethyl)pyrrole-1-carbonitrile Openeye Name: 3-(3,4-dibromophenyl)-5-nitro-2-(trifluoromethyl)pyrrole-1-carbonitrile CAS Name: 3-(3,4-dibromophenyl)-5-nitro-2-(trifluoromethyl)-1-pyrrolecarbonitrile IUPAC Name: 3-(3,4-dibromophenyl)-5-nitro-2-(trifluoromethyl)pyrrole-1-carbonitrile Traditional Name: 3-(3,4-dibromophenyl)-5-nitro-2-(trifluoromethyl)pyrrole-1-carbonitrile Formula: C12H4Br2F3N3O2 MolecularWeight: 438.98227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(N(C(=C2)[N+](=O)[O-])C#N)C(F)(F)F)Br)Br

Isomeric SMILES

C1=CC(=C(C=C1C2=C(N(C(=C2)[N+](=O)[O-])C#N)C(F)(F)F)Br)Br

InChI

InChI=1S/C12H4Br2F3N3O2/c13-8-2-1-6(3-9(8)14)7-4-10(20(21)22)19(5-18)11(7)12(15,16)17/h1-4H