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

Systemtic Name: ethyl 3-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19F3N4O7 MolecularWeight: 496.39337

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C21H19F3N4O7/c1-2-35-20(30)14-9-13(10-16(11-14)27(31)32)19(29)26-7-5-25(6-8-26)17-4-3-15(21(22,23)24)12-18(17)28(33)34/h3-4,9-12H,2,5-8H2,1H3