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

Systemtic Name: dimethyl 5-[2-(4-bromanylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-bromopyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-bromopyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-bromopyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16BrN3O5 MolecularWeight: 410.21934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O5/c1-9(20-8-12(17)7-18-20)14(21)19-13-5-10(15(22)24-2)4-11(6-13)16(23)25-3/h4-9H,1-3H3,(H,19,21)