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

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-(4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(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-(4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)butyric acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6/c1-14-11-17(12-15(2)21(14)22)28-10-4-5-20(24)29-18-7-6-16(8-9-23(25)26)13-19(18)27-3/h6-9,11-13H,4-5,10H2,1-3H3/b9-8+