1,2-diazabicyclo[4.1.0]hepta-2,4,6-triene; ethanoic acid

Systemtic Name: 1,2-diazabicyclo[4.1.0]hepta-2,4,6-triene; ethanoic acid Openeye Name: acetic acid; 1,2-diazabicyclo[4.1.0]hepta-2,4,6-triene CAS Name: acetic acid; 1,2-diazabicyclo[4.1.0]hepta-2,4,6-triene IUPAC Name: acetic acid; 1,2-diazabicyclo[4.1.0]hepta-2,4,6-triene Traditional Name: acetic acid; 1,2-diazabicyclo[4.1.0]hepta-2,4,6-triene Formula: C7H8N2O2 MolecularWeight: 152.15062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=CN2N=C1

Isomeric SMILES

CC(=O)O.C1=CC2=CN2N=C1

InChI

InChI=1S/C5H4N2.C2H4O2/c1-2-5-4-7(5)6-3-1;1-2(3)4/h1-4H;1H3,(H,3,4)