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

Systemtic Name: methyl 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: methyl 4-(2H-tetrazol-5-yl)benzoate CAS Name: 4-(2H-tetrazol-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2H-tetrazol-5-yl)benzoate Traditional Name: 4-(2H-tetrazol-5-yl)benzoic acid methyl ester Formula: C9H8N4O2 MolecularWeight: 204.18542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NNN=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NNN=N2

InChI

InChI=1S/C9H8N4O2/c1-15-9(14)7-4-2-6(3-5-7)8-10-12-13-11-8/h2-5H,1H3,(H,10,11,12,13)