1-[bis(fluoranyl)methyl]-3-(4-bromanyl-3-chloranyl-phenyl)-4-nitro-pyrrole-2-carbonitrile

Systemtic Name: 1-[bis(fluoranyl)methyl]-3-(4-bromanyl-3-chloranyl-phenyl)-4-nitro-pyrrole-2-carbonitrile Openeye Name: 3-(4-bromo-3-chloro-phenyl)-1-(difluoromethyl)-4-nitro-pyrrole-2-carbonitrile CAS Name: 3-(4-bromo-3-chlorophenyl)-1-(difluoromethyl)-4-nitro-2-pyrrolecarbonitrile IUPAC Name: 3-(4-bromo-3-chlorophenyl)-1-(difluoromethyl)-4-nitropyrrole-2-carbonitrile Traditional Name: 3-(4-bromo-3-chloro-phenyl)-1-(difluoromethyl)-4-nitro-pyrrole-2-carbonitrile Formula: C12H5BrClF2N3O2 MolecularWeight: 376.540806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H5BrClF2N3O2/c13-7-2-1-6(3-8(7)14)11-9(4-17)18(12(15)16)5-10(11)19(20)21/h1-3,5,12H