2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(4-chloro-2-nitro-benzoyl)amino]hexanoic acid CAS Name: 2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(4-chloro-2-nitrobenzoyl)amino]hexanoic acid Traditional Name: 2-[(4-chloro-2-nitro-benzoyl)amino]hexanoic acid Formula: C13H15ClN2O5 MolecularWeight: 314.7216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN2O5/c1-2-3-4-10(13(18)19)15-12(17)9-6-5-8(14)7-11(9)16(20)21/h5-7,10H,2-4H2,1H3,(H,15,17)(H,18,19)