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

Systemtic Name: ethyl 4-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C14H14IN3O3 MolecularWeight: 399.18373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C=N2)I

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C=N2)I

InChI

InChI=1S/C14H14IN3O3/c1-2-21-14(20)10-3-5-12(6-4-10)17-13(19)9-18-8-11(15)7-16-18/h3-8H,2,9H2,1H3,(H,17,19)