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

Systemtic Name: 4-[(1H-pyrazol-4-ylcarbonylamino)methyl]benzoic acid Openeye Name: 4-[(1H-pyrazole-4-carbonylamino)methyl]benzoic acid CAS Name: 4-[[[oxo(1H-pyrazol-4-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[(1H-pyrazole-4-carbonylamino)methyl]benzoic acid Traditional Name: 4-[(1H-pyrazole-4-carbonylamino)methyl]benzoic acid Formula: C12H11N3O3 MolecularWeight: 245.23404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNN=C2)C(=O)O

InChI

InChI=1S/C12H11N3O3/c16-11(10-6-14-15-7-10)13-5-8-1-3-9(4-2-8)12(17)18/h1-4,6-7H,5H2,(H,13,16)(H,14,15)(H,17,18)