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

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

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C16H16BrN3O5/c1-4-20-8-12(17)13(19-20)14(21)18-11-6-9(15(22)24-2)5-10(7-11)16(23)25-3/h5-8H,4H2,1-3H3,(H,18,21)