4-[4-ethoxycarbonyl-3-(2-methoxyphenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[4-ethoxycarbonyl-3-(2-methoxyphenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-ethoxycarbonyl-3-(2-methoxyphenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-ethoxycarbonyl-3-(2-methoxyphenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-ethoxycarbonyl-3-(2-methoxyphenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-carbethoxy-3-keto-5-(2-methoxyphenyl)-3-pyrazolin-1-yl]benzoic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OC

InChI

InChI=1S/C20H18N2O6/c1-3-28-20(26)16-17(14-6-4-5-7-15(14)27-2)22(21-18(16)23)13-10-8-12(9-11-13)19(24)25/h4-11H,3H2,1-2H3,(H,21,23)(H,24,25)