propan-2-yl 4-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]benzoate Openeye Name: isopropyl 4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzoate CAS Name: 4-[[(4-iodo-1H-pyrazol-5-yl)-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzoate Traditional Name: 4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzoic acid isopropyl ester Formula: C14H14IN3O3 MolecularWeight: 399.18373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=NN2)I

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=NN2)I

InChI

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