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

Systemtic Name: dimethyl 2-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H16BrN3O5 MolecularWeight: 410.21934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)Br

InChI

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