dimethyl 5-[3-(4-chloranylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-chloranylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4-chloropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-chloropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(4-chloropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16ClN3O5 MolecularWeight: 365.76834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)Cl)C(=O)OC

InChI

InChI=1S/C16H16ClN3O5/c1-24-15(22)10-5-11(16(23)25-2)7-13(6-10)19-14(21)3-4-20-9-12(17)8-18-20/h5-9H,3-4H2,1-2H3,(H,19,21)