2-(4-nitrobenzotriazol-1-yl)ethanoate

Systemtic Name: 2-(4-nitrobenzotriazol-1-yl)ethanoate Openeye Name: 2-(4-nitrobenzotriazol-1-yl)acetate CAS Name: 2-(4-nitro-1-benzotriazolyl)acetate IUPAC Name: 2-(4-nitrobenzotriazol-1-yl)acetate Traditional Name: 2-(4-nitrobenzotriazol-1-yl)acetate Formula: C8H5N4O4- MolecularWeight: 221.1497

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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)/p-1