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

Systemtic Name: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]isophthalic acid Formula: C17H13ClN2O4 MolecularWeight: 344.74912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H13ClN2O4/c18-13-3-1-10(2-4-13)15-5-6-20(19-15)14-8-11(16(21)22)7-12(9-14)17(23)24/h1-4,7-9H,5-6H2,(H,21,22)(H,23,24)