2-[[(4-bromanyl-3,5-dimethoxy-phenyl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(4-bromanyl-3,5-dimethoxy-phenyl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-bromo-3,5-dimethoxy-benzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(4-bromo-3,5-dimethoxy-benzoyl)amino]methyl]-4-nitro-phenolate Formula: C16H14BrN2O6- MolecularWeight: 410.19616

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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)/p-1