3-methyl-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 3-methyl-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 3-methyl-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 3-methyl-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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