[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H21NO7/c1-25-16-7-4-14(12-18(16)26-2)6-9-20(22)28-17-8-5-15(10-11-21(23)24)13-19(17)27-3/h4-5,7-8,10-13H,6,9H2,1-3H3/b11-10+