6-[(3-bromophenyl)carbonylamino]hexanoate

Systemtic Name: 6-[(3-bromophenyl)carbonylamino]hexanoate Openeye Name: 6-[(3-bromobenzoyl)amino]hexanoate CAS Name: 6-[[(3-bromophenyl)-oxomethyl]amino]hexanoate IUPAC Name: 6-[(3-bromobenzoyl)amino]hexanoate Traditional Name: 6-[(3-bromobenzoyl)amino]hexanoate Formula: C13H15BrNO3- MolecularWeight: 313.1671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C13H16BrNO3/c14-11-6-4-5-10(9-11)13(18)15-8-3-1-2-7-12(16)17/h4-6,9H,1-3,7-8H2,(H,15,18)(H,16,17)/p-1