(2-cyanophenyl)methyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-cyanophenyl)methyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: (2-cyanophenyl)methyl 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid (2-cyanobenzyl) ester Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCC(=O)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCC(=O)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C18H14BrNO3/c19-16-7-5-13(6-8-16)17(21)9-10-18(22)23-12-15-4-2-1-3-14(15)11-20/h1-8H,9-10,12H2