2-[(4-carboxyphenyl)methyl]-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[(4-carboxyphenyl)methyl]-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 2-[(4-carboxyphenyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 2-[(4-carboxyphenyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid Traditional Name: 2-(4-carboxybenzyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenyl-pyrazole-3-carboxylic acid Formula: C26H19ClN2O6 MolecularWeight: 490.89186

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=C(N(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=C(N(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C26H19ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-4-2-1-3-5-16)28-29(24(19)26(32)33)13-15-6-8-17(9-7-15)25(30)31/h1-9,11-12H,10,13-14H2,(H,30,31)(H,32,33)