ethyl 3-nitro-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(1-pyrazolyl)-5-(trifluoromethyl)anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid ethyl ester Formula: C20H15F3N4O5 MolecularWeight: 448.35211

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H15F3N4O5/c1-2-32-19(29)13-8-12(9-15(10-13)27(30)31)18(28)25-16-11-14(20(21,22)23)4-5-17(16)26-7-3-6-24-26/h3-11H,2H2,1H3,(H,25,28)