[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C21H21BrClNO6 MolecularWeight: 498.75154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=C(C=C(C=C2)C=C[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C21H21BrClNO6/c1-13-11-18(20(22)14(2)21(13)23)29-10-4-5-19(25)30-16-7-6-15(8-9-24(26)27)12-17(16)28-3/h6-9,11-12H,4-5,10H2,1-3H3/b9-8+