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

Systemtic Name: 2-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide CAS Name: 2-(4-bromo-3-methyl-1-pyrazolyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide IUPAC Name: 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide Traditional Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]acetamide Formula: C15H17BrN4O5 MolecularWeight: 413.22328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=NN(C=C1Br)CC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H17BrN4O5/c1-9-12(16)6-19(18-9)7-14(22)17-13(8-21)15(23)10-2-4-11(5-3-10)20(24)25/h2-6,13,15,21,23H,7-8H2,1H3,(H,17,22)