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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (5-bromo-2-methoxy-benzyl) ester Formula: C16H14BrNO6 MolecularWeight: 396.18946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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