ethyl 2-[(4-iodanylpyrazol-1-yl)methyl]benzoate

Systemtic Name: ethyl 2-[(4-iodanylpyrazol-1-yl)methyl]benzoate Openeye Name: ethyl 2-[(4-iodopyrazol-1-yl)methyl]benzoate CAS Name: 2-[(4-iodo-1-pyrazolyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-iodopyrazol-1-yl)methyl]benzoate Traditional Name: 2-[(4-iodopyrazol-1-yl)methyl]benzoic acid ethyl ester Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CN2C=C(C=N2)I

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CN2C=C(C=N2)I

InChI

InChI=1S/C13H13IN2O2/c1-2-18-13(17)12-6-4-3-5-10(12)8-16-9-11(14)7-15-16/h3-7,9H,2,8H2,1H3