3-[4-[2-(4-chloranylpyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[2-(4-chloranylpyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoate Openeye Name: 3-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoate CAS Name: 3-[4-[[2-(4-chloro-1-pyrazolyl)ethylamino]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoate Traditional Name: 3-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propionate Formula: C12H13ClN5O3- MolecularWeight: 310.71632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CCC(=O)[O-])C(=O)NCCN2C=C(C=N2)Cl

Isomeric SMILES

C1=C(C=NN1CCC(=O)[O-])C(=O)NCCN2C=C(C=N2)Cl

InChI

InChI=1S/C12H14ClN5O3/c13-10-6-16-18(8-10)4-2-14-12(21)9-5-15-17(7-9)3-1-11(19)20/h5-8H,1-4H2,(H,14,21)(H,19,20)/p-1