methyl 5-[5-[(E)-2-(4-bromophenyl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[5-[(E)-2-(4-bromophenyl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: methyl 5-[5-[(E)-2-(4-bromophenyl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[(E)-2-(4-bromophenyl)-2-cyanoethenyl]-2-furanyl]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[5-[(E)-2-(4-bromophenyl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[(E)-2-(4-bromophenyl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoic acid methyl ester Formula: C21H13BrClNO3 MolecularWeight: 442.68982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C(/C#N)\C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H13BrClNO3/c1-26-21(25)18-11-14(4-8-19(18)23)20-9-7-17(27-20)10-15(12-24)13-2-5-16(22)6-3-13/h2-11H,1H3/b15-10-