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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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