4-bromanyl-3,5-dimethoxy-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-bromo-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3,5-dimethoxy-benzamide CAS Name: 4-bromo-N-[(2-hydroxy-5-nitrophenyl)methyl]-3,5-dimethoxybenzamide IUPAC Name: 4-bromo-N-[(2-hydroxy-5-nitrophenyl)methyl]-3,5-dimethoxybenzamide Traditional Name: 4-bromo-N-(2-hydroxy-5-nitro-benzyl)-3,5-dimethoxy-benzamide Formula: C16H15BrN2O6 MolecularWeight: 411.2041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H15BrN2O6/c1-24-13-6-9(7-14(25-2)15(13)17)16(21)18-8-10-5-11(19(22)23)3-4-12(10)20/h3-7,20H,8H2,1-2H3,(H,18,21)