ethyl 4-[2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C16H18IN3O3 MolecularWeight: 427.23689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18IN3O3/c1-4-23-16(22)12-5-7-13(8-6-12)18-14(21)9-20-11(3)15(17)10(2)19-20/h5-8H,4,9H2,1-3H3,(H,18,21)