[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(3,4-dicyanophenoxy)benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(3,4-dicyanophenoxy)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(3,4-dicyanophenoxy)benzoate CAS Name: 4-(3,4-dicyanophenoxy)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(3,4-dicyanophenoxy)benzoate Traditional Name: 4-(3,4-dicyanophenoxy)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C23H13BrN2O4 MolecularWeight: 461.26432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)OC3=CC(=C(C=C3)C#N)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)OC3=CC(=C(C=C3)C#N)C#N

InChI

InChI=1S/C23H13BrN2O4/c24-19-6-1-15(2-7-19)22(27)14-29-23(28)16-3-8-20(9-4-16)30-21-10-5-17(12-25)18(11-21)13-26/h1-11H,14H2