[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 3-(2-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(2-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)propionic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C20H20BrNO7 MolecularWeight: 466.2793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])OC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C20H20BrNO7/c1-26-17-10-13(8-9-22(24)25)4-6-16(17)29-20(23)7-5-14-11-18(27-2)19(28-3)12-15(14)21/h4,6,8-12H,5,7H2,1-3H3/b9-8+