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

Systemtic Name: 5-[(2,4-dinitrophenyl)-methyl-amino]pentane-1,2-diol Openeye Name: 5-(N-methyl-2,4-dinitro-anilino)pentane-1,2-diol CAS Name: 5-(N-methyl-2,4-dinitroanilino)pentane-1,2-diol IUPAC Name: 5-(N-methyl-2,4-dinitroanilino)pentane-1,2-diol Traditional Name: 5-(N-methyl-2,4-dinitro-anilino)pentane-1,2-diol Formula: C12H17N3O6 MolecularWeight: 299.27988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O6/c1-13(6-2-3-10(17)8-16)11-5-4-9(14(18)19)7-12(11)15(20)21/h4-5,7,10,16-17H,2-3,6,8H2,1H3