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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO6/c1-10(20)11-4-6-16(24-2)13(7-11)9-25-17(21)12-3-5-14(18)15(8-12)19(22)23/h3-8H,9H2,1-2H3