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

Systemtic Name: dimethyl 5-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)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)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O5/c1-8-12(17)13(20(2)19-8)14(21)18-11-6-9(15(22)24-3)5-10(7-11)16(23)25-4/h5-7H,1-4H3,(H,18,21)