6-[(2,4-dinitrophenyl)-ethyl-amino]hexane-1,2-diol

Systemtic Name: 6-[(2,4-dinitrophenyl)-ethyl-amino]hexane-1,2-diol Openeye Name: 6-(N-ethyl-2,4-dinitro-anilino)hexane-1,2-diol CAS Name: 6-(N-ethyl-2,4-dinitroanilino)hexane-1,2-diol IUPAC Name: 6-(N-ethyl-2,4-dinitroanilino)hexane-1,2-diol Traditional Name: 6-(N-ethyl-2,4-dinitro-anilino)hexane-1,2-diol Formula: C14H21N3O6 MolecularWeight: 327.33304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCC(CO)O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CCCCC(CO)O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O6/c1-2-15(8-4-3-5-12(19)10-18)13-7-6-11(16(20)21)9-14(13)17(22)23/h6-7,9,12,18-19H,2-5,8,10H2,1H3