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

Systemtic Name: methyl 3-butyl-2-(2H-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: methyl 3-butyl-2-(2H-tetrazol-5-yl)benzoate CAS Name: 3-butyl-2-(2H-tetrazol-5-yl)benzoic acid methyl ester IUPAC Name: methyl 3-butyl-2-(2H-tetrazol-5-yl)benzoate Traditional Name: 3-butyl-2-(2H-tetrazol-5-yl)benzoic acid methyl ester Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C2=NNN=N2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=CC(=C1C2=NNN=N2)C(=O)OC

InChI

InChI=1S/C13H16N4O2/c1-3-4-6-9-7-5-8-10(13(18)19-2)11(9)12-14-16-17-15-12/h5,7-8H,3-4,6H2,1-2H3,(H,14,15,16,17)