4-(2-hydroxyethylamino)-3,5-dinitro-benzoate

Systemtic Name: 4-(2-hydroxyethylamino)-3,5-dinitro-benzoate Openeye Name: 4-(2-hydroxyethylamino)-3,5-dinitro-benzoate CAS Name: 4-(2-hydroxyethylamino)-3,5-dinitrobenzoate IUPAC Name: 4-(2-hydroxyethylamino)-3,5-dinitrobenzoate Traditional Name: 4-(2-hydroxyethylamino)-3,5-dinitro-benzoate Formula: C9H8N3O7- MolecularWeight: 270.17572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O7/c13-2-1-10-8-6(11(16)17)3-5(9(14)15)4-7(8)12(18)19/h3-4,10,13H,1-2H2,(H,14,15)/p-1