azanium 4-morpholin-4-yl-3,5-dinitro-benzoate

Systemtic Name: azanium 4-morpholin-4-yl-3,5-dinitro-benzoate Openeye Name: ammonium 4-morpholino-3,5-dinitro-benzoate CAS Name: ammonium 4-(4-morpholinyl)-3,5-dinitrobenzoate IUPAC Name: azanium 4-morpholin-4-yl-3,5-dinitrobenzoate Traditional Name: ammonium 4-morpholino-3,5-dinitro-benzoate Formula: C11H14N4O7 MolecularWeight: 314.25146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-].[NH4+]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C11H11N3O7.H3N/c15-11(16)7-5-8(13(17)18)10(9(6-7)14(19)20)12-1-3-21-4-2-12;/h5-6H,1-4H2,(H,15,16);1H3