2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-fluoranylbenzoate

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-fluoranylbenzoate Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl ester Formula: C20H19F4N3O4 MolecularWeight: 441.376173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F4N3O4/c21-16-4-1-14(2-5-16)19(28)31-12-11-25-7-9-26(10-8-25)17-6-3-15(20(22,23)24)13-18(17)27(29)30/h1-6,13H,7-12H2