dimethyl 5-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[3-(trifluoromethyl)-1-pyrazolyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H14F3N3O5 MolecularWeight: 385.29467

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC(=N2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC(=N2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H14F3N3O5/c1-26-14(24)9-5-10(15(25)27-2)7-11(6-9)20-13(23)8-22-4-3-12(21-22)16(17,18)19/h3-7H,8H2,1-2H3,(H,20,23)