(2,6-dimethoxyphenyl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (2,6-dimethoxyphenyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (2,6-dimethoxyphenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2,6-dimethoxyphenyl) ester Formula: C15H12BrNO6 MolecularWeight: 382.16288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO6/c1-21-12-4-3-5-13(22-2)14(12)23-15(18)9-6-7-10(16)11(8-9)17(19)20/h3-8H,1-2H3