dimethyl 5-[2-(4-chloranylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-chloranylpyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-chloropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-chloropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(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:

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C=C(C=N2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C=C(C=N2)Cl

InChI

InChI=1S/C16H16ClN3O5/c1-9(20-8-12(17)7-18-20)14(21)19-13-5-10(15(22)24-2)4-11(6-13)16(23)25-3/h4-9H,1-3H3,(H,19,21)