2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoate CAS Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoate IUPAC Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)benzoate Formula: C11H10N3O2- MolecularWeight: 216.216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2C(=O)[O-])C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2C(=O)[O-])C

InChI

InChI=1S/C11H11N3O2/c1-7-12-13-8(2)14(7)10-6-4-3-5-9(10)11(15)16/h3-6H,1-2H3,(H,15,16)/p-1