[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone

Systemtic Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone Openeye Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone CAS Name: [4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]-[4-(trifluoromethoxy)phenyl]methanone IUPAC Name: [4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone Traditional Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazino]-[4-(trifluoromethoxy)phenyl]methanone Formula: C22H19F3N4O4 MolecularWeight: 460.40587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H19F3N4O4/c23-22(24,25)33-18-6-3-16(4-7-18)21(30)28-13-11-27(12-14-28)19-8-5-17(29(31)32)15-20(19)26-9-1-2-10-26/h1-10,15H,11-14H2