[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H22BrClN2O5 MolecularWeight: 521.78818

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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(C#N)C(=O)N)OC

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C23H22BrClN2O5/c1-13-9-19(21(24)14(2)22(13)25)31-8-4-5-20(28)32-17-7-6-15(11-18(17)30-3)10-16(12-26)23(27)29/h6-7,9-11H,4-5,8H2,1-3H3,(H2,27,29)/b16-10+