[4-(2,2-dicyanoethenyl)phenyl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C20H15BrN2O5 MolecularWeight: 443.2475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)Br)OC)OC

InChI

InChI=1S/C20H15BrN2O5/c1-25-16-9-15(17(21)19(27-3)18(16)26-2)20(24)28-14-6-4-12(5-7-14)8-13(10-22)11-23/h4-9H,1-3H3