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

Systemtic Name: methyl 3-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H17F3N4O7 MolecularWeight: 482.36679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N4O7/c1-34-19(29)13-8-12(9-15(10-13)26(30)31)18(28)25-6-4-24(5-7-25)16-3-2-14(20(21,22)23)11-17(16)27(32)33/h2-3,8-11H,4-7H2,1H3