3-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: 3-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: 3-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoate IUPAC Name: 3-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[(2-pyrazol-1-ylacetyl)amino]benzoate Formula: C12H10N3O3- MolecularWeight: 244.2261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)C(=O)[O-]

InChI

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