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

Systemtic Name: methyl 3-nitro-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20F3N3O5 MolecularWeight: 451.39581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O5/c1-32-20(29)16-10-15(11-18(12-16)27(30)31)19(28)26-8-6-25(7-9-26)13-14-2-4-17(5-3-14)21(22,23)24/h2-5,10-12H,6-9,13H2,1H3