3-[5-(4-chlorophenyl)-2-methoxycarbonyl-pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[5-(4-chlorophenyl)-2-methoxycarbonyl-pyrazol-3-yl]propanoic acid Openeye Name: 3-[5-(4-chlorophenyl)-2-methoxycarbonyl-pyrazol-3-yl]propanoic acid CAS Name: 3-[5-(4-chlorophenyl)-2-methoxycarbonyl-3-pyrazolyl]propanoic acid IUPAC Name: 3-[5-(4-chlorophenyl)-2-methoxycarbonylpyrazol-3-yl]propanoic acid Traditional Name: 3-[2-carbomethoxy-5-(4-chlorophenyl)pyrazol-3-yl]propionic acid Formula: C14H13ClN2O4 MolecularWeight: 308.71702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)CCC(=O)O

Isomeric SMILES

COC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)CCC(=O)O

InChI

InChI=1S/C14H13ClN2O4/c1-21-14(20)17-11(6-7-13(18)19)8-12(16-17)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H,18,19)