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

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C22H24BrNO6 MolecularWeight: 478.33306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO6/c1-15(2)17-7-9-19(18(23)14-17)29-12-4-5-22(25)30-20-8-6-16(10-11-24(26)27)13-21(20)28-3/h6-11,13-15H,4-5,12H2,1-3H3/b11-10+