[4-[2-(3-chlorophenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[2-(3-chlorophenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[2-(3-chlorophenyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[2-(3-chlorophenyl)-5-nitro-3-oxido-4-triazol-3-iumyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[2-(3-chlorophenyl)-5-nitro-3-oxidotriazol-3-ium-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[2-(3-chlorophenyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]piperazino]-(2-furyl)methanone Formula: C17H15ClN6O5 MolecularWeight: 418.7912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[N+](N(N=C2[N+](=O)[O-])C3=CC(=CC=C3)Cl)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=[N+](N(N=C2[N+](=O)[O-])C3=CC(=CC=C3)Cl)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C17H15ClN6O5/c18-12-3-1-4-13(11-12)22-19-15(24(27)28)16(23(22)26)20-6-8-21(9-7-20)17(25)14-5-2-10-29-14/h1-5,10-11H,6-9H2