2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]phenol Openeye Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]phenol CAS Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]phenol Traditional Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]phenol Formula: C17H15F3N4O5 MolecularWeight: 412.32001

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N4O5/c18-17(19,20)11-9-13(23(26)27)16(14(10-11)24(28)29)22-7-5-21(6-8-22)12-3-1-2-4-15(12)25/h1-4,9-10,25H,5-8H2