methyl 2-(3-bromanyl-2,6-dimethoxy-phenyl)-5-nitro-benzoate

Systemtic Name: methyl 2-(3-bromanyl-2,6-dimethoxy-phenyl)-5-nitro-benzoate Openeye Name: methyl 2-(3-bromo-2,6-dimethoxy-phenyl)-5-nitro-benzoate CAS Name: 2-(3-bromo-2,6-dimethoxyphenyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethoxyphenyl)-5-nitrobenzoate Traditional Name: 2-(3-bromo-2,6-dimethoxy-phenyl)-5-nitro-benzoic acid methyl ester Formula: C16H14BrNO6 MolecularWeight: 396.18946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO6/c1-22-13-7-6-12(17)15(23-2)14(13)10-5-4-9(18(20)21)8-11(10)16(19)24-3/h4-8H,1-3H3