dimethyl 5-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18ClN3O5 MolecularWeight: 427.83772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)C(=O)OC

InChI

InChI=1S/C21H18ClN3O5/c1-29-20(27)15-7-16(21(28)30-2)9-18(8-15)24-19(26)14-5-3-13(4-6-14)11-25-12-17(22)10-23-25/h3-10,12H,11H2,1-2H3,(H,24,26)