ethyl 3-nitro-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[4-(trifluoromethyl)benzyl]piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C22H22F3N3O5 MolecularWeight: 465.42239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H22F3N3O5/c1-2-33-21(30)17-11-16(12-19(13-17)28(31)32)20(29)27-9-7-26(8-10-27)14-15-3-5-18(6-4-15)22(23,24)25/h3-6,11-13H,2,7-10,14H2,1H3