2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzonitrile CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitrobenzonitrile Traditional Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzonitrile Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H16N4O3/c14-10-11-9-12(17(18)19)1-2-13(11)15-3-4-16-5-7-20-8-6-16/h1-2,9,15H,3-8H2/p+1