3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonylpyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-5-carbethoxy-pyrazol-1-yl]benzoic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC=CC(=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC=CC(=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O6/c1-2-26-20(25)16-10-15(12-6-7-17-18(9-12)28-11-27-17)21-22(16)14-5-3-4-13(8-14)19(23)24/h3-10H,2,11H2,1H3,(H,23,24)