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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6/c18-13(14-3-4-15-5-7-23-8-6-15)11-2-1-10(16(19)20)9-12(11)17(21)22/h1-2,9H,3-8H2,(H,14,18)/p+1