2,6-bis(azanyl)hexanoic acid; 2,6-dinitrophenol

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2,6-dinitrophenol Openeye Name: 2,6-diaminohexanoic acid; 2,6-dinitrophenol CAS Name: 2,6-diaminohexanoic acid; 2,6-dinitrophenol IUPAC Name: 2,6-diaminohexanoic acid; 2,6-dinitrophenol Traditional Name: 2,6-diaminohexanoic acid; 2,6-dinitrophenol Formula: C12H18N4O7 MolecularWeight: 330.29392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-].C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-].C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C6H4N2O5.C6H14N2O2/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;7-4-2-1-3-5(8)6(9)10/h1-3,9H;5H,1-4,7-8H2,(H,9,10)