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

Systemtic Name: furan-2-yl-[4-[2-(3-methylphenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[2-(m-tolyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[2-(3-methylphenyl)-5-nitro-3-oxido-4-triazol-3-iumyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[2-(3-methylphenyl)-5-nitro-3-oxidotriazol-3-ium-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[2-(m-tolyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]piperazino]methanone Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2N=C(C(=[N+]2[O-])N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2N=C(C(=[N+]2[O-])N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c1-13-4-2-5-14(12-13)22-19-16(24(27)28)17(23(22)26)20-7-9-21(10-8-20)18(25)15-6-3-11-29-15/h2-6,11-12H,7-10H2,1H3