2-[[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitro-phenyl]amino]ethanol

Systemtic Name: 2-[[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitro-phenyl]amino]ethanol Openeye Name: 2-[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitro-anilino]ethanol CAS Name: 2-[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitroanilino]ethanol IUPAC Name: 2-[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitroanilino]ethanol Traditional Name: 2-[3,5-bis(2-hydroxyethylamino)-2,4,6-trinitro-anilino]ethanol Formula: C12H18N6O9 MolecularWeight: 390.30612

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC1=C(C(=C(C(=C1[N+](=O)[O-])NCCO)[N+](=O)[O-])NCCO)[N+](=O)[O-]

Isomeric SMILES

C(CO)NC1=C(C(=C(C(=C1[N+](=O)[O-])NCCO)[N+](=O)[O-])NCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H18N6O9/c19-4-1-13-7-10(16(22)23)8(14-2-5-20)12(18(26)27)9(15-3-6-21)11(7)17(24)25/h13-15,19-21H,1-6H2