2-(1,4-dimethyl-6-oxidanylidene-2H-benzotriazol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(1,4-dimethyl-6-oxidanylidene-2H-benzotriazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(1,4-dimethyl-6-oxo-2H-benzotriazol-1-ium-1-yl)acetic acid CAS Name: 2-(1,4-dimethyl-6-oxo-2H-benzotriazol-1-ium-1-yl)acetic acid IUPAC Name: 2-(1,4-dimethyl-6-oxo-2H-benzotriazol-1-ium-1-yl)acetic acid Traditional Name: 2-(6-keto-1,4-dimethyl-2H-benzotriazol-1-ium-1-yl)acetic acid Formula: C10H12N3O3+ MolecularWeight: 222.22058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=C2C1=NN[N+]2(C)CC(=O)O

Isomeric SMILES

CC1=CC(=O)C=C2C1=NN[N+]2(C)CC(=O)O

InChI

InChI=1S/C10H11N3O3/c1-6-3-7(14)4-8-10(6)11-12-13(8,2)5-9(15)16/h3-4H,5H2,1-2H3,(H-,12,14,15,16)/p+1