2-[(3,5-dinitro-4-oxidanyl-phenyl)amino]ethane-1,1-diol

Systemtic Name: 2-[(3,5-dinitro-4-oxidanyl-phenyl)amino]ethane-1,1-diol Openeye Name: 2-(4-hydroxy-3,5-dinitro-anilino)ethane-1,1-diol CAS Name: 2-(4-hydroxy-3,5-dinitroanilino)ethane-1,1-diol IUPAC Name: 2-(4-hydroxy-3,5-dinitroanilino)ethane-1,1-diol Traditional Name: 2-(4-hydroxy-3,5-dinitro-anilino)ethane-1,1-diol Formula: C8H9N3O7 MolecularWeight: 259.17296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O7/c12-7(13)3-9-4-1-5(10(15)16)8(14)6(2-4)11(17)18/h1-2,7,9,12-14H,3H2