dimethyl 5-[2-(4-bromanylpyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-bromanylpyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-bromopyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-bromopyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-bromopyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18BrN3O5 MolecularWeight: 424.24592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C=C(C=N2)Br

InChI

InChI=1S/C17H18BrN3O5/c1-4-14(21-9-12(18)8-19-21)15(22)20-13-6-10(16(23)25-2)5-11(7-13)17(24)26-3/h5-9,14H,4H2,1-3H3,(H,20,22)