(2-bromanyl-4,5-dimethoxy-phenyl)methyl 3-nitrobenzoate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 3-nitrobenzoate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-bromo-4,5-dimethoxy-benzyl) 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(=CC=C2)[N+](=O)[O-])Br)OC

Isomeric SMILES

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

InChI

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