2-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol

Systemtic Name: 2-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol Openeye Name: 2-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol CAS Name: 2-nitro-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]phenol IUPAC Name: 2-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol Traditional Name: 2-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]phenol Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)O)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)O)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3/c19-18(20,21)14-2-1-3-15(11-14)23-8-6-22(7-9-23)12-13-4-5-17(25)16(10-13)24(26)27/h1-5,10-11,25H,6-9,12H2