4-[2-(1H-pyrazol-4-ylcarbonylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(1H-pyrazol-4-ylcarbonylamino)ethyl]benzoic acid Openeye Name: 4-[2-(1H-pyrazole-4-carbonylamino)ethyl]benzoic acid CAS Name: 4-[2-[[oxo(1H-pyrazol-4-yl)methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-(1H-pyrazole-4-carbonylamino)ethyl]benzoic acid Traditional Name: 4-[2-(1H-pyrazole-4-carbonylamino)ethyl]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CNN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CNN=C2)C(=O)O

InChI

InChI=1S/C13H13N3O3/c17-12(11-7-15-16-8-11)14-6-5-9-1-3-10(4-2-9)13(18)19/h1-4,7-8H,5-6H2,(H,14,17)(H,15,16)(H,18,19)