2-bromanyl-3,4,5-trimethoxy-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]benzamide

Systemtic Name: 2-bromanyl-3,4,5-trimethoxy-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]benzamide Openeye Name: 2-bromo-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3,4,5-trimethoxy-benzamide CAS Name: 2-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3,4,5-trimethoxybenzamide IUPAC Name: 2-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3,4,5-trimethoxybenzamide Traditional Name: 2-bromo-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3,4,5-trimethoxy-benzamide Formula: C19H21BrN2O8 MolecularWeight: 485.28264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br)OC)OC

InChI

InChI=1S/C19H21BrN2O8/c1-28-14-8-12(15(20)18(30-3)17(14)29-2)19(25)21-13(9-23)16(24)10-4-6-11(7-5-10)22(26)27/h4-8,13,16,23-24H,9H2,1-3H3,(H,21,25)