5-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3,5-bis(4-chlorophenyl)-2-pyrazolin-1-yl]isophthalic acid Formula: C23H16Cl2N2O4 MolecularWeight: 455.29014

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16Cl2N2O4/c24-17-5-1-13(2-6-17)20-12-21(14-3-7-18(25)8-4-14)27(26-20)19-10-15(22(28)29)9-16(11-19)23(30)31/h1-11,21H,12H2,(H,28,29)(H,30,31)