(2,5-dimethylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (2,5-dimethylphenyl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (2,5-dimethylbenzyl) ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C17H16N4O2/c1-12-6-7-13(2)15(8-12)10-23-17(22)14-4-3-5-16(9-14)21-11-18-19-20-21/h3-9,11H,10H2,1-2H3