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

Systemtic Name: 1-[4-(1,2,3,4-tetrazol-1-ylmethoxy)phenyl]butan-2-one Openeye Name: 1-[4-(tetrazol-1-ylmethoxy)phenyl]butan-2-one CAS Name: 1-[4-(1-tetrazolylmethoxy)phenyl]-2-butanone IUPAC Name: 1-[4-(tetrazol-1-ylmethoxy)phenyl]butan-2-one Traditional Name: 1-[4-(tetrazol-1-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)OCN2C=NN=N2

Isomeric SMILES

CCC(=O)CC1=CC=C(C=C1)OCN2C=NN=N2

InChI

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