[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-22(2,3)18-9-5-16(6-10-18)8-12-21(24)28-19-11-7-17(13-14-23(25)26)15-20(19)27-4/h5-7,9-11,13-15H,8,12H2,1-4H3/b14-13+