4-iodanyl-1-methyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-1-methyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C14H15IN4O5 MolecularWeight: 446.19717

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)I

InChI

InChI=1S/C14H15IN4O5/c1-18-6-10(15)12(17-18)14(22)16-11(7-20)13(21)8-2-4-9(5-3-8)19(23)24/h2-6,11,13,20-21H,7H2,1H3,(H,16,22)