1-[5-(4-bromophenyl)-1,2,3,4-tetrazol-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[5-(4-bromophenyl)-1,2,3,4-tetrazol-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[5-(4-bromophenyl)tetrazol-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[5-(4-bromophenyl)-1-tetrazolyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[5-(4-bromophenyl)tetrazol-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[5-(4-bromophenyl)tetrazol-1-yl]-3,3-dimethyl-butan-2-one Formula: C13H15BrN4O MolecularWeight: 323.1884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4O/c1-13(2,3)11(19)8-18-12(15-16-17-18)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3