4-(5-bromanyl-4-nitro-thiophen-3-yl)-2-(4-chlorophenyl)-3-nitro-5-(trifluoromethyl)-1H-pyrrole

Systemtic Name: 4-(5-bromanyl-4-nitro-thiophen-3-yl)-2-(4-chlorophenyl)-3-nitro-5-(trifluoromethyl)-1H-pyrrole Openeye Name: 4-(5-bromo-4-nitro-3-thienyl)-2-(4-chlorophenyl)-3-nitro-5-(trifluoromethyl)-1H-pyrrole CAS Name: 4-(5-bromo-4-nitro-3-thiophenyl)-2-(4-chlorophenyl)-3-nitro-5-(trifluoromethyl)-1H-pyrrole IUPAC Name: 4-(5-bromo-4-nitrothiophen-3-yl)-2-(4-chlorophenyl)-3-nitro-5-(trifluoromethyl)-1H-pyrrole Traditional Name: 4-(5-bromo-4-nitro-3-thienyl)-2-(4-chlorophenyl)-3-nitro-5-(trifluoromethyl)-1H-pyrrole Formula: C15H6BrClF3N3O4S MolecularWeight: 496.64305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)C3=CSC(=C3[N+](=O)[O-])Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)C3=CSC(=C3[N+](=O)[O-])Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H6BrClF3N3O4S/c16-14-11(22(24)25)8(5-28-14)9-12(23(26)27)10(21-13(9)15(18,19)20)6-1-3-7(17)4-2-6/h1-5,21H