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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H20F3N3O5/c1-2-32-20(29)15-10-14(11-18(12-15)27(30)31)19(28)26-8-6-25(7-9-26)17-5-3-4-16(13-17)21(22,23)24/h3-5,10-13H,2,6-9H2,1H3


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