[8-(4-cyanophenyl)-2-oxidanylidene-octan-4-yl] 2-bromanylethanoate

Systemtic Name: [8-(4-cyanophenyl)-2-oxidanylidene-octan-4-yl] 2-bromanylethanoate Openeye Name: [1-acetonyl-5-(4-cyanophenyl)pentyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [8-(4-cyanophenyl)-2-oxooctan-4-yl] ester IUPAC Name: [8-(4-cyanophenyl)-2-oxooctan-4-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [1-acetonyl-5-(4-cyanophenyl)pentyl] ester Formula: C17H20BrNO3 MolecularWeight: 366.2496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCCC1=CC=C(C=C1)C#N)OC(=O)CBr

Isomeric SMILES

CC(=O)CC(CCCCC1=CC=C(C=C1)C#N)OC(=O)CBr

InChI

InChI=1S/C17H20BrNO3/c1-13(20)10-16(22-17(21)11-18)5-3-2-4-14-6-8-15(12-19)9-7-14/h6-9,16H,2-5,10-11H2,1H3