[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2,5-dimethylphenoxy)butanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2,5-dimethylphenoxy)butanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-(2,5-dimethylphenoxy)butanoate CAS Name: 4-(2,5-dimethylphenoxy)butanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2,5-dimethylphenoxy)butanoate Traditional Name: 4-(2,5-dimethylphenoxy)butyric acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)OC2=C(C=C(C=C2)C=C[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)OC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C21H23NO6/c1-15-6-7-16(2)19(13-15)27-12-4-5-21(23)28-18-9-8-17(10-11-22(24)25)14-20(18)26-3/h6-11,13-14H,4-5,12H2,1-3H3/b11-10+