2-(4-chloranyl-3-nitro-phenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Openeye Name: 2-(4-chloro-3-nitro-phenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS Name: 2-(4-chloro-3-nitrophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(4-chloro-3-nitrophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Traditional Name: 2-(4-chloro-3-nitro-phenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Formula: C12H5ClF3N3O2 MolecularWeight: 315.63521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C=C(N2)C(F)(F)F)C#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C=C(N2)C(F)(F)F)C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H5ClF3N3O2/c13-8-2-1-6(3-9(8)19(20)21)11-7(5-17)4-10(18-11)12(14,15)16/h1-4,18H