(2,6-dimethylphenyl) 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (2,6-dimethylphenyl) 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (2,6-dimethylphenyl) 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid (2,6-dimethylphenyl) ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC=CC=C2N3C=NN=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC=CC=C2N3C=NN=N3

InChI

InChI=1S/C16H14N4O2/c1-11-6-5-7-12(2)15(11)22-16(21)13-8-3-4-9-14(13)20-10-17-18-19-20/h3-10H,1-2H3