5-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 5-methyl-2-[[1-oxo-2-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2C=CC=N2)C(=O)O

InChI

InChI=1S/C14H15N3O3/c1-9-4-5-12(11(8-9)14(19)20)16-13(18)10(2)17-7-3-6-15-17/h3-8,10H,1-2H3,(H,16,18)(H,19,20)