N-(2-morpholin-4-ium-4-ylethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3,5-dinitro-benzamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-3,5-dinitro-benzamide Formula: C13H17N4O6+ MolecularWeight: 325.29728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6/c18-13(14-1-2-15-3-5-23-6-4-15)10-7-11(16(19)20)9-12(8-10)17(21)22/h7-9H,1-6H2,(H,14,18)/p+1