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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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