4-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoic acid Openeye Name: 4-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoic acid CAS Name: 4-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]benzoic acid Traditional Name: 4-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C16H18ClN3O3/c1-4-13(20-10(3)14(17)9(2)19-20)15(21)18-12-7-5-11(6-8-12)16(22)23/h5-8,13H,4H2,1-3H3,(H,18,21)(H,22,23)