2-nitro-4,6-bis[(3-oxidanylpropylamino)methyl]benzene-1,3-diol

Systemtic Name: 2-nitro-4,6-bis[(3-oxidanylpropylamino)methyl]benzene-1,3-diol Openeye Name: 4,6-bis[(3-hydroxypropylamino)methyl]-2-nitro-benzene-1,3-diol CAS Name: 4,6-bis[(3-hydroxypropylamino)methyl]-2-nitrobenzene-1,3-diol IUPAC Name: 4,6-bis[(3-hydroxypropylamino)methyl]-2-nitrobenzene-1,3-diol Traditional Name: 4,6-bis[(3-hydroxypropylamino)methyl]-2-nitro-resorcinol Formula: C14H23N3O6 MolecularWeight: 329.34892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1CNCCCO)O)[N+](=O)[O-])O)CNCCCO

Isomeric SMILES

C1=C(C(=C(C(=C1CNCCCO)O)[N+](=O)[O-])O)CNCCCO

InChI

InChI=1S/C14H23N3O6/c18-5-1-3-15-8-10-7-11(9-16-4-2-6-19)14(21)12(13(10)20)17(22)23/h7,15-16,18-21H,1-6,8-9H2