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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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