2-(6-nitro-2H-benzotriazol-5-yl)ethanoic acid

Systemtic Name: 2-(6-nitro-2H-benzotriazol-5-yl)ethanoic acid Openeye Name: 2-(6-nitro-2H-benzotriazol-5-yl)acetic acid CAS Name: 2-(6-nitro-2H-benzotriazol-5-yl)acetic acid IUPAC Name: 2-(6-nitro-2H-benzotriazol-5-yl)acetic acid Traditional Name: 2-(6-nitro-2H-benzotriazol-5-yl)acetic acid Formula: C8H6N4O4 MolecularWeight: 222.15764

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=NNN=C21)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=C(C(=CC2=NNN=C21)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C8H6N4O4/c13-8(14)2-4-1-5-6(10-11-9-5)3-7(4)12(15)16/h1,3H,2H2,(H,13,14)(H,9,10,11)