1-ethanoylaziridine-2-carbonitrile; 3-methoxy-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one

Systemtic Name: 1-ethanoylaziridine-2-carbonitrile; 3-methoxy-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Openeye Name: 1-acetylaziridine-2-carbonitrile; 3-methoxy-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one CAS Name: 1-acetyl-2-aziridinecarbonitrile; 3-methoxy-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one IUPAC Name: 1-acetylaziridine-2-carbonitrile; 3-methoxy-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Traditional Name: 1-acetylethylenimine-2-carbonitrile; 3-methoxy-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC1C#N.CON1C2=CC=C(C1=O)C=C2

Isomeric SMILES

CC(=O)N1CC1C#N.CON1C2=CC=C(C1=O)C=C2

InChI

InChI=1S/C8H7NO2.C5H6N2O/c1-11-9-7-4-2-6(3-5-7)8(9)10;1-4(8)7-3-5(7)2-6/h2-5H,1H3;5H,3H2,1H3