(2-bromanyl-4,5-diethoxy-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C20H22BrNO8 MolecularWeight: 484.29458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)Br)OCC

InChI

InChI=1S/C20H22BrNO8/c1-5-28-18-7-12(14(21)9-19(18)29-6-2)11-30-20(23)13-8-16(26-3)17(27-4)10-15(13)22(24)25/h7-10H,5-6,11H2,1-4H3