methyl 3-(5-phenyl-1,2,3,4-tetrazol-2-yl)butanoate

Systemtic Name: methyl 3-(5-phenyl-1,2,3,4-tetrazol-2-yl)butanoate Openeye Name: methyl 3-(5-phenyltetrazol-2-yl)butanoate CAS Name: 3-(5-phenyl-2-tetrazolyl)butanoic acid methyl ester IUPAC Name: methyl 3-(5-phenyltetrazol-2-yl)butanoate Traditional Name: 3-(5-phenyltetrazol-2-yl)butyric acid methyl ester Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)N1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC)N1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2/c1-9(8-11(17)18-2)16-14-12(13-15-16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3