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

Systemtic Name: dimethyl 5-[[4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-bromo-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H13BrF3N3O5 MolecularWeight: 464.19073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H13BrF3N3O5/c1-23-11(10(17)12(22-23)16(18,19)20)13(24)21-9-5-7(14(25)27-2)4-8(6-9)15(26)28-3/h4-6H,1-3H3,(H,21,24)