2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(4-bromo-3-nitro-benzoyl)amino]hexanoic acid CAS Name: 2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(4-bromo-3-nitrobenzoyl)amino]hexanoic acid Traditional Name: 2-[(4-bromo-3-nitro-benzoyl)amino]hexanoic acid Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O5/c1-2-3-4-10(13(18)19)15-12(17)8-5-6-9(14)11(7-8)16(20)21/h5-7,10H,2-4H2,1H3,(H,15,17)(H,18,19)