6-nitro-1-oxidanyl-benzotriazole-4-carboxylate

Systemtic Name: 6-nitro-1-oxidanyl-benzotriazole-4-carboxylate Openeye Name: 1-hydroxy-6-nitro-benzotriazole-4-carboxylate CAS Name: 1-hydroxy-6-nitro-4-benzotriazolecarboxylate IUPAC Name: 1-hydroxy-6-nitrobenzotriazole-4-carboxylate Traditional Name: 1-hydroxy-6-nitro-benzotriazole-4-carboxylate Formula: C7H3N4O5- MolecularWeight: 223.12252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1N(N=N2)O)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1N(N=N2)O)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H4N4O5/c12-7(13)4-1-3(11(15)16)2-5-6(4)8-9-10(5)14/h1-2,14H,(H,12,13)/p-1