ethyl 2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoate Openeye Name: ethyl 2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetate CAS Name: 2-(4-iodo-3,5-dimethyl-1-pyrazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetate Traditional Name: 2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetic acid ethyl ester Formula: C9H13IN2O2 MolecularWeight: 308.11619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C)I)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C)I)C

InChI

InChI=1S/C9H13IN2O2/c1-4-14-8(13)5-12-7(3)9(10)6(2)11-12/h4-5H2,1-3H3