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

Systemtic Name: dimethyl 5-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18BrN3O5 MolecularWeight: 424.24592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NN(C=C1Br)C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18BrN3O5/c1-9-14(18)8-21(20-9)10(2)15(22)19-13-6-11(16(23)25-3)5-12(7-13)17(24)26-4/h5-8,10H,1-4H3,(H,19,22)