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

Systemtic Name: dimethyl 5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)Br

InChI

InChI=1S/C18H20BrN3O5/c1-9-15(19)10(2)22(21-9)11(3)16(23)20-14-7-12(17(24)26-4)6-13(8-14)18(25)27-5/h6-8,11H,1-5H3,(H,20,23)