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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN2C=C(C=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN2C=C(C=N2)Cl)C(=O)O

InChI

InChI=1S/C14H14ClN3O3/c15-12-8-17-18(9-12)6-5-13(19)16-7-10-1-3-11(4-2-10)14(20)21/h1-4,8-9H,5-7H2,(H,16,19)(H,20,21)