(2-bromanyl-4,5-diethoxy-phenyl)methyl 4-nitrobenzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 4-nitrobenzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C18H18BrNO6 MolecularWeight: 424.24262

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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-])Br)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO6/c1-3-24-16-9-13(15(19)10-17(16)25-4-2)11-26-18(21)12-5-7-14(8-6-12)20(22)23/h5-10H,3-4,11H2,1-2H3