4-[(2-pyrazol-1-ylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-pyrazol-1-ylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-pyrazol-1-ylacetyl)amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(1-pyrazolyl)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-pyrazol-1-ylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-pyrazol-1-ylacetyl)amino]methyl]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN(N=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

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