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

Systemtic Name: 3-[4-azanyl-3-[2,3-bis(oxidanyl)propylamino]-2-nitro-phenyl]propane-1,2-diol Openeye Name: 3-[4-amino-3-(2,3-dihydroxypropylamino)-2-nitro-phenyl]propane-1,2-diol CAS Name: 3-[4-amino-3-(2,3-dihydroxypropylamino)-2-nitrophenyl]propane-1,2-diol IUPAC Name: 3-[4-amino-3-(2,3-dihydroxypropylamino)-2-nitrophenyl]propane-1,2-diol Traditional Name: 3-[4-amino-3-(glycerylamino)-2-nitro-phenyl]propane-1,2-diol Formula: C12H19N3O6 MolecularWeight: 301.29576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC(CO)O)[N+](=O)[O-])NCC(CO)O)N

Isomeric SMILES

C1=CC(=C(C(=C1CC(CO)O)[N+](=O)[O-])NCC(CO)O)N

InChI

InChI=1S/C12H19N3O6/c13-10-2-1-7(3-8(18)5-16)12(15(20)21)11(10)14-4-9(19)6-17/h1-2,8-9,14,16-19H,3-6,13H2