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

Systemtic Name: dimethyl 5-[[2-[(4-chloranylphenoxy)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-[(4-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=NN2COC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=NN2COC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H18ClN3O6/c1-29-20(27)13-9-14(21(28)30-2)11-16(10-13)24-19(26)18-7-8-23-25(18)12-31-17-5-3-15(22)4-6-17/h3-11H,12H2,1-2H3,(H,24,26)