3-(4-iodanyl-3-methyl-pyrazol-1-yl)-N-(4-nitro-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-(4-iodanyl-3-methyl-pyrazol-1-yl)-N-(4-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C13H13IN4O4 MolecularWeight: 416.17119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1I)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=NN(C=C1I)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13IN4O4/c1-8-10(14)7-17(16-8)5-4-13(20)15-11-3-2-9(18(21)22)6-12(11)19/h2-3,6-7,19H,4-5H2,1H3,(H,15,20)