3-[[2,4-dinitro-5-(3-oxidanylpropylamino)phenyl]amino]propan-1-ol

Systemtic Name: 3-[[2,4-dinitro-5-(3-oxidanylpropylamino)phenyl]amino]propan-1-ol Openeye Name: 3-[5-(3-hydroxypropylamino)-2,4-dinitro-anilino]propan-1-ol CAS Name: 3-[5-(3-hydroxypropylamino)-2,4-dinitroanilino]-1-propanol IUPAC Name: 3-[5-(3-hydroxypropylamino)-2,4-dinitroanilino]propan-1-ol Traditional Name: 3-[5-(3-hydroxypropylamino)-2,4-dinitro-anilino]propan-1-ol Formula: C12H18N4O6 MolecularWeight: 314.29452

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1NCCCO)[N+](=O)[O-])[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=C(C(=CC(=C1NCCCO)[N+](=O)[O-])[N+](=O)[O-])NCCCO

InChI

InChI=1S/C12H18N4O6/c17-5-1-3-13-9-7-10(14-4-2-6-18)12(16(21)22)8-11(9)15(19)20/h7-8,13-14,17-18H,1-6H2