3-(2-azaniumylethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylate

Systemtic Name: 3-(2-azaniumylethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylate Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(N2)C(=O)[O-])CC[NH3+]

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(N2)C(=O)[O-])CC[NH3+]

InChI

InChI=1S/C12H13N3O5/c1-20-9-5-6(15(18)19)4-8-7(2-3-13)11(12(16)17)14-10(8)9/h4-5,14H,2-3,13H2,1H3,(H,16,17)