(3-methoxycarbonylphenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3-carbomethoxybenzyl) ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6/c1-23-15(19)11-4-2-3-10(7-11)9-24-16(20)12-5-6-13(17)14(8-12)18(21)22/h2-8H,9H2,1H3