[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6/c1-5-24(2,3)19-9-11-20(12-10-19)30-16-6-7-23(26)31-21-13-8-18(14-15-25(27)28)17-22(21)29-4/h8-15,17H,5-7,16H2,1-4H3/b15-14+