[3-(1,2,3,4-tetrazol-1-yl)phenyl] butanoate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] butanoate Openeye Name: [3-(tetrazol-1-yl)phenyl] butanoate CAS Name: butanoic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] butanoate Traditional Name: butyric acid [3-(tetrazol-1-yl)phenyl] ester Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC(=C1)N2C=NN=N2

Isomeric SMILES

CCCC(=O)OC1=CC=CC(=C1)N2C=NN=N2

InChI

InChI=1S/C11H12N4O2/c1-2-4-11(16)17-10-6-3-5-9(7-10)15-8-12-13-14-15/h3,5-8H,2,4H2,1H3