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

Systemtic Name: 2-(4-chlorophenyl)-3-nitro-4-(5-nitrothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrrole Openeye Name: 2-(4-chlorophenyl)-3-nitro-4-(5-nitro-2-thienyl)-5-(trifluoromethyl)-1H-pyrrole CAS Name: 2-(4-chlorophenyl)-3-nitro-4-(5-nitro-2-thiophenyl)-5-(trifluoromethyl)-1H-pyrrole IUPAC Name: 2-(4-chlorophenyl)-3-nitro-4-(5-nitrothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrrole Traditional Name: 2-(4-chlorophenyl)-3-nitro-4-(5-nitro-2-thienyl)-5-(trifluoromethyl)-1H-pyrrole Formula: C15H7ClF3N3O4S MolecularWeight: 417.74699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)C3=CC=C(S3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)C3=CC=C(S3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C15H7ClF3N3O4S/c16-8-3-1-7(2-4-8)12-13(22(25)26)11(14(20-12)15(17,18)19)9-5-6-10(27-9)21(23)24/h1-6,20H