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

Systemtic Name: 4-bromanyl-3-nitro-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]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C13H12BrN5O7 MolecularWeight: 430.16768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN5O7/c14-9-10(16-17-12(9)19(25)26)13(22)15-8(5-20)11(21)6-1-3-7(4-2-6)18(23)24/h1-4,8,11,20-21H,5H2,(H,15,22)(H,16,17)