1-[4-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]butan-2-one

Systemtic Name: 1-[4-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]butan-2-one Openeye Name: 1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]butan-2-one CAS Name: 1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-2-butanone IUPAC Name: 1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]butan-2-one Traditional Name: 1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]butan-2-one Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=CC=C(C=C1)OCC2=NNN=N2

Isomeric SMILES

CCC(=O)CC1=CC=C(C=C1)OCC2=NNN=N2

InChI

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