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

Systemtic Name: 4-(4-iodophenyl)-5-nitro-2-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-iodophenyl)-5-nitro-2-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-iodophenyl)-5-nitro-2-(trifluoromethyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-iodophenyl)-5-nitro-2-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-iodophenyl)-5-nitro-2-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Formula: C12H5F3IN3O2 MolecularWeight: 407.08668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(NC(=C2C#N)C(F)(F)F)[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1C2=C(NC(=C2C#N)C(F)(F)F)[N+](=O)[O-])I

InChI

InChI=1S/C12H5F3IN3O2/c13-12(14,15)10-8(5-17)9(11(18-10)19(20)21)6-1-3-7(16)4-2-6/h1-4,18H