(Z)-3-[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]-1,1,1-tris(chloranyl)-4-(dimethylamino)but-3-en-2-one

Systemtic Name: (Z)-3-[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]-1,1,1-tris(chloranyl)-4-(dimethylamino)but-3-en-2-one Openeye Name: (Z)-3-[1-(4-bromophenyl)tetrazol-5-yl]-1,1,1-trichloro-4-(dimethylamino)but-3-en-2-one CAS Name: (Z)-3-[1-(4-bromophenyl)-5-tetrazolyl]-1,1,1-trichloro-4-(dimethylamino)-3-buten-2-one IUPAC Name: (Z)-3-[1-(4-bromophenyl)tetrazol-5-yl]-1,1,1-trichloro-4-(dimethylamino)but-3-en-2-one Traditional Name: (Z)-3-[1-(4-bromophenyl)tetrazol-5-yl]-1,1,1-trichloro-4-(dimethylamino)but-3-en-2-one Formula: C13H11BrCl3N5O MolecularWeight: 439.52234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C1=NN=NN1C2=CC=C(C=C2)Br)C(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CN(C)/C=C(/C1=NN=NN1C2=CC=C(C=C2)Br)\C(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H11BrCl3N5O/c1-21(2)7-10(11(23)13(15,16)17)12-18-19-20-22(12)9-5-3-8(14)4-6-9/h3-7H,1-2H3/b10-7+