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

Systemtic Name: methyl 3-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H18F3N3O5 MolecularWeight: 437.36923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O5/c1-31-19(28)14-9-13(10-17(11-14)26(29)30)18(27)25-7-5-24(6-8-25)16-4-2-3-15(12-16)20(21,22)23/h2-4,9-12H,5-8H2,1H3