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

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]acetamide Formula: C14H15BrN4O5 MolecularWeight: 399.1967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)CN2C=C(C=N2)Br)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)CN2C=C(C=N2)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN4O5/c15-10-5-16-18(6-10)7-13(21)17-12(8-20)14(22)9-1-3-11(4-2-9)19(23)24/h1-6,12,14,20,22H,7-8H2,(H,17,21)