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

Systemtic Name: dimethyl 5-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O5/c1-10-16(19)11(2)22(21-10)6-5-15(23)20-14-8-12(17(24)26-3)7-13(9-14)18(25)27-4/h7-9H,5-6H2,1-4H3,(H,20,23)