2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]-N-(2-cyano-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[4-[4-cyano-2-(2-furanyl)-5-oxazolyl]-1-piperazin-1-iumyl]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C21H18N7O5+ MolecularWeight: 448.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C21H17N7O5/c22-11-14-10-15(28(30)31)3-4-16(14)24-19(29)13-26-5-7-27(8-6-26)21-17(12-23)25-20(33-21)18-2-1-9-32-18/h1-4,9-10H,5-8,13H2,(H,24,29)/p+1