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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C(=CC(=C1)OC)NCCC(O)O)[N+](=O)[O-])(O)O

Isomeric SMILES

CCC(NC1=C(C(=CC(=C1)OC)NCCC(O)O)[N+](=O)[O-])(O)O

InChI

InChI=1S/C13H21N3O7/c1-3-13(19,20)15-10-7-8(23-2)6-9(12(10)16(21)22)14-5-4-11(17)18/h6-7,11,14-15,17-20H,3-5H2,1-2H3