3,3-dimethyl-1-(5-phenyl-1,2,3,4-tetrazol-1-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(5-phenyl-1,2,3,4-tetrazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(5-phenyltetrazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1-(5-phenyl-1-tetrazolyl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(5-phenyltetrazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(5-phenyltetrazol-1-yl)butan-2-one Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=NN=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=NN=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H16N4O/c1-13(2,3)11(18)9-17-12(14-15-16-17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3