4-(2-hydroxyethylamino)-3,5-dinitro-benzoic acid

Systemtic Name: 4-(2-hydroxyethylamino)-3,5-dinitro-benzoic acid Openeye Name: 4-(2-hydroxyethylamino)-3,5-dinitro-benzoic acid CAS Name: 4-(2-hydroxyethylamino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(2-hydroxyethylamino)-3,5-dinitrobenzoic acid Traditional Name: 4-(2-hydroxyethylamino)-3,5-dinitro-benzoic acid Formula: C9H9N3O7 MolecularWeight: 271.18366

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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)