1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-pyrrol-1-yl-piperidine

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-pyrrol-1-yl-piperidine Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-pyrrol-1-yl-piperidine CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-(1-pyrrolyl)piperidine IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-pyrrol-1-ylpiperidine Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-pyrrol-1-yl-piperidine Formula: C16H15F3N4O4 MolecularWeight: 384.30991

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])N3C=CC=C3

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])N3C=CC=C3

InChI

InChI=1S/C16H15F3N4O4/c17-16(18,19)11-8-13(22(24)25)15(14(9-11)23(26)27)21-7-3-4-12(10-21)20-5-1-2-6-20/h1-2,5-6,8-9,12H,3-4,7,10H2