(2,5-dimethoxyphenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C16H14BrNO6 MolecularWeight: 396.18946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO6/c1-22-12-4-6-15(23-2)11(7-12)9-24-16(19)10-3-5-13(17)14(8-10)18(20)21/h3-8H,9H2,1-2H3