1,4-bis[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]piperazine

Systemtic Name: 1,4-bis[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]piperazine Openeye Name: 1,4-bis[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]piperazine CAS Name: 1,4-bis[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]piperazine IUPAC Name: 1,4-bis[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]piperazine Traditional Name: 1,4-bis[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]piperazine Formula: C30H22F6N4O6 MolecularWeight: 648.509299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC(=CC=C4)OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC(=CC=C4)OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C30H22F6N4O6/c31-29(32,33)19-7-9-27(25(15-19)39(41)42)45-23-5-1-3-21(17-23)37-11-13-38(14-12-37)22-4-2-6-24(18-22)46-28-10-8-20(30(34,35)36)16-26(28)40(43)44/h1-10,15-18H,11-14H2