(E)-1-(6-chloranylbenzotriazol-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-(6-chloranylbenzotriazol-1-yl)but-2-en-1-one Openeye Name: (E)-1-(6-chlorobenzotriazol-1-yl)but-2-en-1-one CAS Name: (E)-1-(6-chloro-1-benzotriazolyl)-2-buten-1-one IUPAC Name: (E)-1-(6-chlorobenzotriazol-1-yl)but-2-en-1-one Traditional Name: (E)-1-(6-chlorobenzotriazol-1-yl)but-2-en-1-one Formula: C10H8ClN3O MolecularWeight: 221.64302

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1C2=C(C=CC(=C2)Cl)N=N1

Isomeric SMILES

C/C=C/C(=O)N1C2=C(C=CC(=C2)Cl)N=N1

InChI

InChI=1S/C10H8ClN3O/c1-2-3-10(15)14-9-6-7(11)4-5-8(9)12-13-14/h2-6H,1H3/b3-2+