(2-nitrophenyl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (2-nitrophenyl)methyl 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid (2-nitrobenzyl) ester Formula: C17H16BrNO6 MolecularWeight: 410.21604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO6/c1-23-15-7-12(13(18)9-16(15)24-2)8-17(20)25-10-11-5-3-4-6-14(11)19(21)22/h3-7,9H,8,10H2,1-2H3