3-[3-(4-chlorophenyl)-4-methanoyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-chlorophenyl)-4-methanoyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(4-chlorophenyl)-4-formyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(4-chlorophenyl)-4-formyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-chlorophenyl)-4-formylpyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(4-chlorophenyl)-4-formyl-pyrazol-1-yl]propionic acid Formula: C13H11ClN2O3 MolecularWeight: 278.69104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=O)CCC(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O3/c14-11-3-1-9(2-4-11)13-10(8-17)7-16(15-13)6-5-12(18)19/h1-4,7-8H,5-6H2,(H,18,19)