5-[(2,4-dinitrophenyl)-propyl-amino]pentane-1,2-diol

Systemtic Name: 5-[(2,4-dinitrophenyl)-propyl-amino]pentane-1,2-diol Openeye Name: 5-(2,4-dinitro-N-propyl-anilino)pentane-1,2-diol CAS Name: 5-(2,4-dinitro-N-propylanilino)pentane-1,2-diol IUPAC Name: 5-(2,4-dinitro-N-propylanilino)pentane-1,2-diol Traditional Name: 5-(2,4-dinitro-N-propyl-anilino)pentane-1,2-diol Formula: C14H21N3O6 MolecularWeight: 327.33304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(CO)O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN(CCCC(CO)O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O6/c1-2-7-15(8-3-4-12(19)10-18)13-6-5-11(16(20)21)9-14(13)17(22)23/h5-6,9,12,18-19H,2-4,7-8,10H2,1H3