4-azabicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethynylquinoline-2-carboxylic acid

Systemtic Name: 4-azabicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethynylquinoline-2-carboxylic acid Openeye Name: 4-azabicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethynylquinoline-2-carboxylic acid CAS Name: 4-azabicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethynyl-2-quinolinecarboxylic acid IUPAC Name: 4-azabicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethynylquinoline-2-carboxylic acid Traditional Name: 4-azabicyclo[3.1.0]hexa-1(6),2,4-triene; 3-ethynylquinaldic acid Formula: C17H10N2O2 MolecularWeight: 274.2735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=CC=CC=C2N=C1C(=O)O.C1=CN=C2C1=C2

Isomeric SMILES

C#CC1=CC2=CC=CC=C2N=C1C(=O)O.C1=CN=C2C1=C2

InChI

InChI=1S/C12H7NO2.C5H3N/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12(14)15;1-2-6-5-3-4(1)5/h1,3-7H,(H,14,15);1-3H