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

Systemtic Name: 4-[3-(4-chlorophenyl)-4-ethoxycarbonyl-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[3-(4-chlorophenyl)-4-ethoxycarbonyl-5-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[3-(4-chlorophenyl)-4-ethoxycarbonyl-5-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[3-(4-chlorophenyl)-4-ethoxycarbonyl-5-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-carbethoxy-5-(4-chlorophenyl)-3-keto-3-pyrazolin-1-yl]benzoic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O5/c1-2-27-19(26)15-16(11-3-7-13(20)8-4-11)22(21-17(15)23)14-9-5-12(6-10-14)18(24)25/h3-10H,2H2,1H3,(H,21,23)(H,24,25)