(3-bromophenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (3-bromophenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (3-bromophenyl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (3-bromobenzyl) ester Formula: C16H14BrNO6 MolecularWeight: 396.18946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=CC=C2)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=CC=C2)Br)[N+](=O)[O-])OC

InChI

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