4-[[(1-methylpyrazol-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-methylpyrazol-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(1-methyl-4-pyrazolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O3/c1-16-8-11(7-15-16)12(17)14-6-9-2-4-10(5-3-9)13(18)19/h2-5,7-8H,6H2,1H3,(H,14,17)(H,18,19)