2-(4-nitrobenzotriazol-1-yl)ethanoic acid

Systemtic Name: 2-(4-nitrobenzotriazol-1-yl)ethanoic acid Openeye Name: 2-(4-nitrobenzotriazol-1-yl)acetic acid CAS Name: 2-(4-nitro-1-benzotriazolyl)acetic acid IUPAC Name: 2-(4-nitrobenzotriazol-1-yl)acetic acid Traditional Name: 2-(4-nitrobenzotriazol-1-yl)acetic acid Formula: C8H6N4O4 MolecularWeight: 222.15764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])N=NN2CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])N=NN2CC(=O)O

InChI

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