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

Systemtic Name: 4-[(2,4-dinitrophenyl)-propyl-amino]butane-1,2-diol Openeye Name: 4-(2,4-dinitro-N-propyl-anilino)butane-1,2-diol CAS Name: 4-(2,4-dinitro-N-propylanilino)butane-1,2-diol IUPAC Name: 4-(2,4-dinitro-N-propylanilino)butane-1,2-diol Traditional Name: 4-(2,4-dinitro-N-propyl-anilino)butane-1,2-diol Formula: C13H19N3O6 MolecularWeight: 313.30646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6/c1-2-6-14(7-5-11(18)9-17)12-4-3-10(15(19)20)8-13(12)16(21)22/h3-4,8,11,17-18H,2,5-7,9H2,1H3