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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(F)(F)F)Br

InChI

InChI=1S/C18H17BrF3N3O5/c1-9-14(19)15(18(20,21)22)24-25(9)5-4-13(26)23-12-7-10(16(27)29-2)6-11(8-12)17(28)30-3/h6-8H,4-5H2,1-3H3,(H,23,26)