3-[[3-[2,3-bis(oxidanyl)propylamino]-5-methoxy-2-nitro-phenyl]amino]propane-1,2-diol

Systemtic Name: 3-[[3-[2,3-bis(oxidanyl)propylamino]-5-methoxy-2-nitro-phenyl]amino]propane-1,2-diol Openeye Name: 3-[3-(2,3-dihydroxypropylamino)-5-methoxy-2-nitro-anilino]propane-1,2-diol CAS Name: 3-[3-(2,3-dihydroxypropylamino)-5-methoxy-2-nitroanilino]propane-1,2-diol IUPAC Name: 3-[3-(2,3-dihydroxypropylamino)-5-methoxy-2-nitroanilino]propane-1,2-diol Traditional Name: 3-[3-(glycerylamino)-5-methoxy-2-nitro-anilino]propane-1,2-diol Formula: C13H21N3O7 MolecularWeight: 331.32174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)NCC(CO)O)[N+](=O)[O-])NCC(CO)O

Isomeric SMILES

COC1=CC(=C(C(=C1)NCC(CO)O)[N+](=O)[O-])NCC(CO)O

InChI

InChI=1S/C13H21N3O7/c1-23-10-2-11(14-4-8(19)6-17)13(16(21)22)12(3-10)15-5-9(20)7-18/h2-3,8-9,14-15,17-20H,4-7H2,1H3