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

Systemtic Name: methyl 2-[2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C15H16IN3O3 MolecularWeight: 413.21031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)OC)C)I

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)OC)C)I

InChI

InChI=1S/C15H16IN3O3/c1-9-14(16)10(2)19(18-9)8-13(20)17-12-7-5-4-6-11(12)15(21)22-3/h4-7H,8H2,1-3H3,(H,17,20)