methyl 3-nitro-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H18F3N3O6 MolecularWeight: 465.37933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H18F3N3O6/c1-33-20(30)14-10-13(11-15(12-14)27(31)32)18(28)25-6-8-26(9-7-25)19(29)16-4-2-3-5-17(16)21(22,23)24/h2-5,10-12H,6-9H2,1H3