(E)-3-(benzotriazol-1-yl)-4-(dimethylamino)but-3-en-2-one

Systemtic Name: (E)-3-(benzotriazol-1-yl)-4-(dimethylamino)but-3-en-2-one Openeye Name: (E)-3-(benzotriazol-1-yl)-4-(dimethylamino)but-3-en-2-one CAS Name: (E)-3-(1-benzotriazolyl)-4-(dimethylamino)-3-buten-2-one IUPAC Name: (E)-3-(benzotriazol-1-yl)-4-(dimethylamino)but-3-en-2-one Traditional Name: (E)-3-(benzotriazol-1-yl)-4-(dimethylamino)but-3-en-2-one Formula: C12H14N4O MolecularWeight: 230.26576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN(C)C)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(=O)/C(=C\N(C)C)/N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H14N4O/c1-9(17)12(8-15(2)3)16-11-7-5-4-6-10(11)13-14-16/h4-8H,1-3H3/b12-8+