2-(2-pyrazol-1-ylphenyl)propanedioic acid

Systemtic Name: 2-(2-pyrazol-1-ylphenyl)propanedioic acid Openeye Name: 2-(2-pyrazol-1-ylphenyl)propanedioic acid CAS Name: 2-[2-(1-pyrazolyl)phenyl]propanedioic acid IUPAC Name: 2-(2-pyrazol-1-ylphenyl)propanedioic acid Traditional Name: 2-(2-pyrazol-1-ylphenyl)malonic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)O)C(=O)O)N2C=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)O)C(=O)O)N2C=CC=N2

InChI

InChI=1S/C12H10N2O4/c15-11(16)10(12(17)18)8-4-1-2-5-9(8)14-7-3-6-13-14/h1-7,10H,(H,15,16)(H,17,18)