dimethyl 5-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17BrF3N3O5 MolecularWeight: 504.25459

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

InChI

InChI=1S/C19H17BrF3N3O5/c1-30-17(28)10-5-11(18(29)31-2)7-12(6-10)24-13(27)8-26-15(9-3-4-9)14(20)16(25-26)19(21,22)23/h5-7,9H,3-4,8H2,1-2H3,(H,24,27)