5-[3-(1-benzofuran-2-yl)-5-ethoxycarbonyl-pyrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[3-(1-benzofuran-2-yl)-5-ethoxycarbonyl-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(benzofuran-2-yl)-5-ethoxycarbonyl-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[3-(2-benzofuranyl)-5-ethoxycarbonyl-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[3-(1-benzofuran-2-yl)-5-ethoxycarbonylpyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[3-(benzofuran-2-yl)-5-carbethoxy-pyrazol-1-yl]-2-chloro-benzoic acid Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H15ClN2O5/c1-2-28-21(27)17-11-16(19-9-12-5-3-4-6-18(12)29-19)23-24(17)13-7-8-15(22)14(10-13)20(25)26/h3-11H,2H2,1H3,(H,25,26)