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

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

Systemtic Name:6-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]hexanoic acid
Openeye Name:6-[(4-morpholino-3,5-dinitro-benzoyl)amino]hexanoic acid
CAS Name:6-[[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]amino]hexanoic acid
IUPAC Name:6-[(4-morpholin-4-yl-3,5-dinitrobenzoyl)amino]hexanoic acid
Traditional Name:6-[(4-morpholino-3,5-dinitro-benzoyl)amino]hexanoic acid
Formula: C17H22N4O8
MolecularWeight: 410.37858
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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C17H22N4O8/c22-15(23)4-2-1-3-5-18-17(24)12-10-13(20(25)26)16(14(11-12)21(27)28)19-6-8-29-9-7-19/h10-11H,1-9H2,(H,18,24)(H,22,23)


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