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

Systemtic Name: ethyl 3-nitro-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C20H19F3N4O5 MolecularWeight: 452.38387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N4O5/c1-2-32-19(29)14-9-13(10-16(11-14)27(30)31)18(28)26-7-5-25(6-8-26)17-4-3-15(12-24-17)20(21,22)23/h3-4,9-12H,2,5-8H2,1H3