3-(2-azaniumylethyl)-5-nitro-1H-indole-2-carboxylate

Systemtic Name: 3-(2-azaniumylethyl)-5-nitro-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5-nitro-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5-nitro-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5-nitro-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5-nitro-1H-indole-2-carboxylate Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)C(=O)[O-])CC[NH3+]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)C(=O)[O-])CC[NH3+]

InChI

InChI=1S/C11H11N3O4/c12-4-3-7-8-5-6(14(17)18)1-2-9(8)13-10(7)11(15)16/h1-2,5,13H,3-4,12H2,(H,15,16)