[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric 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=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-25-16-6-8-17(9-7-16)27-13-3-4-20(22)28-18-10-5-15(11-12-21(23)24)14-19(18)26-2/h5-12,14H,3-4,13H2,1-2H3/b12-11+