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

Systemtic Name: dimethyl 5-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H15BrF3N3O5 MolecularWeight: 478.21731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(F)(F)F)Br

InChI

InChI=1S/C17H15BrF3N3O5/c1-8-13(18)14(17(19,20)21)23-24(8)7-12(25)22-11-5-9(15(26)28-2)4-10(6-11)16(27)29-3/h4-6H,7H2,1-3H3,(H,22,25)