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

Systemtic Name: 3-(4-iodanyl-3-methyl-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C16H19IN4O5 MolecularWeight: 474.25033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1I)CCC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=NN(C=C1I)CCC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H19IN4O5/c1-10-13(17)8-20(19-10)7-6-15(23)18-14(9-22)16(24)11-2-4-12(5-3-11)21(25)26/h2-5,8,14,16,22,24H,6-7,9H2,1H3,(H,18,23)