methane; 2-(1-methyl-6-oxidanylidene-2H-benzotriazol-1-ium-1-yl)ethanoate

Systemtic Name: methane; 2-(1-methyl-6-oxidanylidene-2H-benzotriazol-1-ium-1-yl)ethanoate Openeye Name: methane; 2-(1-methyl-6-oxo-2H-benzotriazol-1-ium-1-yl)acetate CAS Name: methane; 2-(1-methyl-6-oxo-2H-benzotriazol-1-ium-1-yl)acetate IUPAC Name: methane; 2-(1-methyl-6-oxo-2H-benzotriazol-1-ium-1-yl)acetate Traditional Name: 2-(6-keto-1-methyl-2H-benzotriazol-1-ium-1-yl)acetate; methane Formula: C10H13N3O3 MolecularWeight: 223.22852

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Descriptors Computed from Structure

Canonical SMILES:

C.C[N+]1(C2=CC(=O)C=CC2=NN1)CC(=O)[O-]

Isomeric SMILES

C.C[N+]1(C2=CC(=O)C=CC2=NN1)CC(=O)[O-]

InChI

InChI=1S/C9H9N3O3.CH4/c1-12(5-9(14)15)8-4-6(13)2-3-7(8)10-11-12;/h2-4H,5H2,1H3,(H-,11,13,14,15);1H4