6-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(4-bromo-3,5-dinitro-benzoyl)amino]hexanoic acid CAS Name: 6-[[(4-bromo-3,5-dinitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-bromo-3,5-dinitrobenzoyl)amino]hexanoic acid Traditional Name: 6-[(4-bromo-3,5-dinitro-benzoyl)amino]hexanoic acid Formula: C13H14BrN3O7 MolecularWeight: 404.17016

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H14BrN3O7/c14-12-9(16(21)22)6-8(7-10(12)17(23)24)13(20)15-5-3-1-2-4-11(18)19/h6-7H,1-5H2,(H,15,20)(H,18,19)