2-[2-(2-hydroxyethyloxy)ethylamino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[2-(2-hydroxyethyloxy)ethylamino]-3,5-dinitro-benzoic acid Openeye Name: 2-[2-(2-hydroxyethoxy)ethylamino]-3,5-dinitro-benzoic acid CAS Name: 2-[2-(2-hydroxyethoxy)ethylamino]-3,5-dinitrobenzoic acid IUPAC Name: 2-[2-(2-hydroxyethoxy)ethylamino]-3,5-dinitrobenzoic acid Traditional Name: 2-[2-(2-hydroxyethoxy)ethylamino]-3,5-dinitro-benzoic acid Formula: C11H13N3O8 MolecularWeight: 315.23622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O8/c15-2-4-22-3-1-12-10-8(11(16)17)5-7(13(18)19)6-9(10)14(20)21/h5-6,12,15H,1-4H2,(H,16,17)