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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O5/c1-10-14(18)9-19-21(10)5-4-15(22)20-13-7-11(16(23)25-2)6-12(8-13)17(24)26-3/h6-9H,4-5H2,1-3H3,(H,20,22)