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

Systemtic Name: (E)-4-(benzotriazol-1-yl)but-3-en-2-one Openeye Name: (E)-4-(benzotriazol-1-yl)but-3-en-2-one CAS Name: (E)-4-(1-benzotriazolyl)-3-buten-2-one IUPAC Name: (E)-4-(benzotriazol-1-yl)but-3-en-2-one Traditional Name: (E)-4-(benzotriazol-1-yl)but-3-en-2-one Formula: C10H9N3O MolecularWeight: 187.19796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CN1C2=CC=CC=C2N=N1

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O/c1-8(14)6-7-13-10-5-3-2-4-9(10)11-12-13/h2-7H,1H3/b7-6+