2-cyano-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)ethanoic acid

Systemtic Name: 2-cyano-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)ethanoic acid Openeye Name: 2-cyano-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)acetic acid CAS Name: 2-cyano-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)acetic acid IUPAC Name: 2-cyano-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)acetic acid Traditional Name: 2-cyano-2-(7-nitrobenzofurazan-4-yl)acetic acid Formula: C9H4N4O5 MolecularWeight: 248.15186

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])C(C#N)C(=O)O

Isomeric SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])C(C#N)C(=O)O

InChI

InChI=1S/C9H4N4O5/c10-3-5(9(14)15)4-1-2-6(13(16)17)8-7(4)11-18-12-8/h1-2,5H,(H,14,15)