4-bromanyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1H-pyrazole-5-carboxamide Formula: C13H13BrN4O5 MolecularWeight: 385.17012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)C2=C(C=NN2)Br)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)C2=C(C=NN2)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN4O5/c14-9-5-15-17-11(9)13(21)16-10(6-19)12(20)7-1-3-8(4-2-7)18(22)23/h1-5,10,12,19-20H,6H2,(H,15,17)(H,16,21)