4-(2-azaniumylethylamino)-3-nitro-benzoate

Systemtic Name: 4-(2-azaniumylethylamino)-3-nitro-benzoate Openeye Name: 4-(2-azaniumylethylamino)-3-nitro-benzoate CAS Name: 4-(2-ammonioethylamino)-3-nitrobenzoate IUPAC Name: 4-(2-azaniumylethylamino)-3-nitrobenzoate Traditional Name: 4-(2-ammonioethylamino)-3-nitro-benzoate Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NCC[NH3+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NCC[NH3+]

InChI

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