3-[[3,5-bis(methylamino)-4-nitro-phenyl]amino]propane-1,1-diol

Systemtic Name: 3-[[3,5-bis(methylamino)-4-nitro-phenyl]amino]propane-1,1-diol Openeye Name: 3-[3,5-bis(methylamino)-4-nitro-anilino]propane-1,1-diol CAS Name: 3-[3,5-bis(methylamino)-4-nitroanilino]propane-1,1-diol IUPAC Name: 3-[3,5-bis(methylamino)-4-nitroanilino]propane-1,1-diol Traditional Name: 3-[3,5-bis(methylamino)-4-nitro-anilino]propane-1,1-diol Formula: C11H18N4O4 MolecularWeight: 270.28502

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=CC(=C1[N+](=O)[O-])NC)NCCC(O)O

Isomeric SMILES

CNC1=CC(=CC(=C1[N+](=O)[O-])NC)NCCC(O)O

InChI

InChI=1S/C11H18N4O4/c1-12-8-5-7(14-4-3-10(16)17)6-9(13-2)11(8)15(18)19/h5-6,10,12-14,16-17H,3-4H2,1-2H3