3-[4-(2-hydroxyethylamino)-3-nitro-phenyl]-3-[1-[4-(2-hydroxyethylamino)-3-nitro-phenyl]-2,3-bis(oxidanyl)propoxy]propane-1,2-diol

Systemtic Name: 3-[4-(2-hydroxyethylamino)-3-nitro-phenyl]-3-[1-[4-(2-hydroxyethylamino)-3-nitro-phenyl]-2,3-bis(oxidanyl)propoxy]propane-1,2-diol Openeye Name: 3-[2,3-dihydroxy-1-[4-(2-hydroxyethylamino)-3-nitro-phenyl]propoxy]-3-[4-(2-hydroxyethylamino)-3-nitro-phenyl]propane-1,2-diol CAS Name: 3-[2,3-dihydroxy-1-[4-(2-hydroxyethylamino)-3-nitrophenyl]propoxy]-3-[4-(2-hydroxyethylamino)-3-nitrophenyl]propane-1,2-diol IUPAC Name: 3-[2,3-dihydroxy-1-[4-(2-hydroxyethylamino)-3-nitrophenyl]propoxy]-3-[4-(2-hydroxyethylamino)-3-nitrophenyl]propane-1,2-diol Traditional Name: 3-[2,3-dihydroxy-1-[4-(2-hydroxyethylamino)-3-nitro-phenyl]propoxy]-3-[4-(2-hydroxyethylamino)-3-nitro-phenyl]propane-1,2-diol Formula: C22H30N4O11 MolecularWeight: 526.4938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(CO)O)OC(C2=CC(=C(C=C2)NCCO)[N+](=O)[O-])C(CO)O)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC(=C(C=C1C(C(CO)O)OC(C2=CC(=C(C=C2)NCCO)[N+](=O)[O-])C(CO)O)[N+](=O)[O-])NCCO

InChI

InChI=1S/C22H30N4O11/c27-7-5-23-15-3-1-13(9-17(15)25(33)34)21(19(31)11-29)37-22(20(32)12-30)14-2-4-16(24-6-8-28)18(10-14)26(35)36/h1-4,9-10,19-24,27-32H,5-8,11-12H2