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

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]propionamide Formula: C15H17BrN4O5 MolecularWeight: 413.22328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)CCN2C=C(C=N2)Br)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)CCN2C=C(C=N2)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrN4O5/c16-11-7-17-19(8-11)6-5-14(22)18-13(9-21)15(23)10-1-3-12(4-2-10)20(24)25/h1-4,7-8,13,15,21,23H,5-6,9H2,(H,18,22)