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

Systemtic Name: 3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; guanidine Openeye Name: 3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; guanidine CAS Name: 3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; guanidine IUPAC Name: 3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; guanidine Traditional Name: 3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; guanidine Formula: C8H10N4O MolecularWeight: 178.1912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=C1C(=O)N2.C(=N)(N)N

Isomeric SMILES

C1=CC2=CC=C1C(=O)N2.C(=N)(N)N

InChI

InChI=1S/C7H5NO.CH5N3/c9-7-5-1-3-6(8-7)4-2-5;2-1(3)4/h1-4H,(H,8,9);(H5,2,3,4)