4-[3,4-dicarboxyoxy-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoic acid

Systemtic Name: 4-[3,4-dicarboxyoxy-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoic acid Openeye Name: 4-[3,4-dicarboxyoxy-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoic acid CAS Name: 4-[3,4-dicarboxyoxy-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoic acid IUPAC Name: 4-[3,4-dicarboxyoxy-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzoic acid Traditional Name: 4-[4,5-dicarboxyoxy-3-(4-chlorophenyl)-2-pyrazolin-1-yl]benzoic acid Formula: C18H13ClN2O8 MolecularWeight: 420.75742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(C2OC(=O)O)OC(=O)O)C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(C2OC(=O)O)OC(=O)O)C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C18H13ClN2O8/c19-11-5-1-9(2-6-11)13-14(28-17(24)25)15(29-18(26)27)21(20-13)12-7-3-10(4-8-12)16(22)23/h1-8,14-15H,(H,22,23)(H,24,25)(H,26,27)