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

Systemtic Name: 4-[4-ethoxycarbonyl-3-(2-hydroxyphenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-ethoxycarbonyl-3-(2-hydroxyphenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-ethoxycarbonyl-3-(2-hydroxyphenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-ethoxycarbonyl-3-(2-hydroxyphenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-carbethoxy-5-(2-hydroxyphenyl)-3-keto-3-pyrazolin-1-yl]benzoic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3O

InChI

InChI=1S/C19H16N2O6/c1-2-27-19(26)15-16(13-5-3-4-6-14(13)22)21(20-17(15)23)12-9-7-11(8-10-12)18(24)25/h3-10,22H,2H2,1H3,(H,20,23)(H,24,25)