4-[3-(2-carboxyethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(2-carboxyethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-(2-carboxyethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[3-(2-carboxyethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-(2-carboxyethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-(2-carboxyethyl)pyrazol-1-yl]benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C=CC(=N2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C=CC(=N2)CCC(=O)O

InChI

InChI=1S/C13H12N2O4/c16-12(17)6-3-10-7-8-15(14-10)11-4-1-9(2-5-11)13(18)19/h1-2,4-5,7-8H,3,6H2,(H,16,17)(H,18,19)