2-(2-azaniumylethylamino)-5-nitro-benzoate

Systemtic Name: 2-(2-azaniumylethylamino)-5-nitro-benzoate Openeye Name: 2-(2-azaniumylethylamino)-5-nitro-benzoate CAS Name: 2-(2-ammonioethylamino)-5-nitrobenzoate IUPAC Name: 2-(2-azaniumylethylamino)-5-nitrobenzoate Traditional Name: 2-(2-ammonioethylamino)-5-nitro-benzoate Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O4/c10-3-4-11-8-2-1-6(12(15)16)5-7(8)9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14)