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

Systemtic Name: methyl 2-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C13H12IN3O3 MolecularWeight: 385.15715

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C=N2)I

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C=N2)I

InChI

InChI=1S/C13H12IN3O3/c1-20-13(19)10-4-2-3-5-11(10)16-12(18)8-17-7-9(14)6-15-17/h2-7H,8H2,1H3,(H,16,18)