3-[[4-(2-hydroxyethyloxy)-2,6-dinitro-phenyl]amino]propane-1,2-diol

Systemtic Name: 3-[[4-(2-hydroxyethyloxy)-2,6-dinitro-phenyl]amino]propane-1,2-diol Openeye Name: 3-[4-(2-hydroxyethoxy)-2,6-dinitro-anilino]propane-1,2-diol CAS Name: 3-[4-(2-hydroxyethoxy)-2,6-dinitroanilino]propane-1,2-diol IUPAC Name: 3-[4-(2-hydroxyethoxy)-2,6-dinitroanilino]propane-1,2-diol Traditional Name: 3-[4-(2-hydroxyethoxy)-2,6-dinitro-anilino]propane-1,2-diol Formula: C11H15N3O8 MolecularWeight: 317.2521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O8/c15-1-2-22-8-3-9(13(18)19)11(10(4-8)14(20)21)12-5-7(17)6-16/h3-4,7,12,15-17H,1-2,5-6H2