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

Systemtic Name: dimethyl 5-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H17BrF3N3O5 MolecularWeight: 492.24389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(F)(F)F)Br

InChI

InChI=1S/C18H17BrF3N3O5/c1-8-13(19)14(18(20,21)22)24-25(8)9(2)15(26)23-12-6-10(16(27)29-3)5-11(7-12)17(28)30-4/h5-7,9H,1-4H3,(H,23,26)