2-(2-azaniumylethylamino)-3,5-dinitro-benzoate

Systemtic Name: 2-(2-azaniumylethylamino)-3,5-dinitro-benzoate Openeye Name: 2-(2-azaniumylethylamino)-3,5-dinitro-benzoate CAS Name: 2-(2-ammonioethylamino)-3,5-dinitrobenzoate IUPAC Name: 2-(2-azaniumylethylamino)-3,5-dinitrobenzoate Traditional Name: 2-(2-ammonioethylamino)-3,5-dinitro-benzoate Formula: C9H10N4O6 MolecularWeight: 270.1989

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCC[NH3+])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCC[NH3+])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O6/c10-1-2-11-8-6(9(14)15)3-5(12(16)17)4-7(8)13(18)19/h3-4,11H,1-2,10H2,(H,14,15)