5-(5-nitro-2-oxidanidyl-phenyl)-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-(5-nitro-2-oxidanidyl-phenyl)-2H-1,2,3-triazole-4-carboxylate Openeye Name: 5-(5-nitro-2-oxido-phenyl)-2H-triazole-4-carboxylate CAS Name: 5-(5-nitro-2-oxidophenyl)-2H-triazole-4-carboxylate IUPAC Name: 5-(5-nitro-2-oxidophenyl)-2H-triazole-4-carboxylate Traditional Name: 5-(5-nitro-2-oxido-phenyl)-2H-triazole-4-carboxylate Formula: C9H4N4O5-2 MolecularWeight: 248.15186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C2=NNN=C2C(=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C2=NNN=C2C(=O)[O-])[O-]

InChI

InChI=1S/C9H6N4O5/c14-6-2-1-4(13(17)18)3-5(6)7-8(9(15)16)11-12-10-7/h1-3,14H,(H,15,16)(H,10,11,12)/p-2