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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCN2C=CC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCN2C=CC=N2

InChI

InChI=1S/C14H15N3O3/c1-10-3-4-11(14(19)20)9-12(10)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)(H,19,20)