2-(2-morpholin-4-ium-4-ylethyliminomethyl)-4-nitro-phenolate

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethyliminomethyl)-4-nitro-phenolate Openeye Name: 2-(2-morpholin-4-ium-4-ylethyliminomethyl)-4-nitro-phenolate CAS Name: 2-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-4-nitrophenolate IUPAC Name: 2-(2-morpholin-4-ium-4-ylethyliminomethyl)-4-nitrophenolate Traditional Name: 2-(2-morpholin-4-ium-4-ylethyliminomethyl)-4-nitro-phenolate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1CCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H17N3O4/c17-13-2-1-12(16(18)19)9-11(13)10-14-3-4-15-5-7-20-8-6-15/h1-2,9-10,17H,3-8H2