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

Systemtic Name: 6-[(2,4-dinitrophenyl)-methyl-amino]hexane-1,2-diol Openeye Name: 6-(N-methyl-2,4-dinitro-anilino)hexane-1,2-diol CAS Name: 6-(N-methyl-2,4-dinitroanilino)hexane-1,2-diol IUPAC Name: 6-(N-methyl-2,4-dinitroanilino)hexane-1,2-diol Traditional Name: 6-(N-methyl-2,4-dinitro-anilino)hexane-1,2-diol Formula: C13H19N3O6 MolecularWeight: 313.30646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6/c1-14(7-3-2-4-11(18)9-17)12-6-5-10(15(19)20)8-13(12)16(21)22/h5-6,8,11,17-18H,2-4,7,9H2,1H3