4-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(4-chloro-3-methyl-pyrazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-[[3-(4-chloro-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(4-chloro-3-methyl-pyrazol-1-yl)propanoylamino]benzoic acid Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN(C=C1Cl)CCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14ClN3O3/c1-9-12(15)8-18(17-9)7-6-13(19)16-11-4-2-10(3-5-11)14(20)21/h2-5,8H,6-7H2,1H3,(H,16,19)(H,20,21)