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

Systemtic Name: (E)-3-(benzotriazol-1-yl)-3-ethoxy-oct-4-en-2-one Openeye Name: (E)-3-(benzotriazol-1-yl)-3-ethoxy-oct-4-en-2-one CAS Name: (E)-3-(1-benzotriazolyl)-3-ethoxy-4-octen-2-one IUPAC Name: (E)-3-(benzotriazol-1-yl)-3-ethoxyoct-4-en-2-one Traditional Name: (E)-3-(benzotriazol-1-yl)-3-ethoxy-oct-4-en-2-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(C(=O)C)(N1C2=CC=CC=C2N=N1)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-4-6-9-12-16(13(3)20,21-5-2)19-15-11-8-7-10-14(15)17-18-19/h7-12H,4-6H2,1-3H3/b12-9+