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

Systemtic Name: 4-methyl-3-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: 4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoate IUPAC Name: 4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]benzoate Formula: C13H12N3O3- MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CN2C=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CN2C=CC=N2

InChI

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