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

Systemtic Name: dimethyl 5-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16BrN3O5 MolecularWeight: 410.21934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NN(C=C1Br)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H16BrN3O5/c1-9-13(17)7-20(19-9)8-14(21)18-12-5-10(15(22)24-2)4-11(6-12)16(23)25-3/h4-7H,8H2,1-3H3,(H,18,21)