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

Systemtic Name: butyl 4-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzoate CAS Name: 4-[[(4-iodo-1H-pyrazol-5-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzoate Traditional Name: 4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzoic acid butyl ester Formula: C15H16IN3O3 MolecularWeight: 413.21031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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