(2-bromanyl-4,5-diethoxy-phenyl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C19H20BrNO6 MolecularWeight: 438.2692

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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-])C)Br)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO6/c1-4-25-17-9-14(15(20)10-18(17)26-5-2)11-27-19(22)13-6-7-16(21(23)24)12(3)8-13/h6-10H,4-5,11H2,1-3H3