4-(carboxymethyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(carboxymethyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-4-(carboxymethyl)pyrazole-3-carboxylic acid CAS Name: 4-(carboxymethyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-4-(carboxymethyl)pyrazole-3-carboxylic acid Traditional Name: 2-benzyl-4-(carboxymethyl)pyrazole-3-carboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C=N2)CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C=N2)CC(=O)O)C(=O)O

InChI

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