[(1S)-2-oxidanylidenecyclohexyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H16BrNO4 MolecularWeight: 354.19584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H16BrNO4/c16-11-7-5-10(6-8-11)15(20)17-9-14(19)21-13-4-2-1-3-12(13)18/h5-8,13H,1-4,9H2,(H,17,20)/t13-/m0/s1