4-[(2-pyrazol-1-ylethanoylamino)methyl]benzoate

Systemtic Name: 4-[(2-pyrazol-1-ylethanoylamino)methyl]benzoate Openeye Name: 4-[[(2-pyrazol-1-ylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1-pyrazolyl)ethyl]amino]methyl]benzoate IUPAC Name: 4-[[(2-pyrazol-1-ylacetyl)amino]methyl]benzoate Traditional Name: 4-[[(2-pyrazol-1-ylacetyl)amino]methyl]benzoate Formula: C13H12N3O3- MolecularWeight: 258.25268

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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)/p-1