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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoate Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-pyrazol-1-yl]benzoate CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-1-pyrazolyl]benzoate IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonylpyrazol-1-yl]benzoate Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-5-carbethoxy-pyrazol-1-yl]benzoate Formula: C20H15N2O6- MolecularWeight: 379.3429

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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)/p-1