1-(2-carboxyethyl)-3-(4-chlorophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-carboxyethyl)-3-(4-chlorophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-carboxyethyl)-3-(4-chlorophenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-carboxyethyl)-3-(4-chlorophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-carboxyethyl)-3-(4-chlorophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-carboxyethyl)-3-(4-chlorophenyl)pyrazole-4-carboxylic acid Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)O)CCC(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O4/c14-9-3-1-8(2-4-9)12-10(13(19)20)7-16(15-12)6-5-11(17)18/h1-4,7H,5-6H2,(H,17,18)(H,19,20)