4,7-bis(oxidanylidene)-6-pent-3-ynoxy-1-pent-3-ynyl-cyclohepta[b]pyridine-2-carboxylic acid

Systemtic Name: 4,7-bis(oxidanylidene)-6-pent-3-ynoxy-1-pent-3-ynyl-cyclohepta[b]pyridine-2-carboxylic acid Openeye Name: 4,7-dioxo-6-pent-3-ynoxy-1-pent-3-ynyl-cyclohepta[b]pyridine-2-carboxylic acid CAS Name: 4,7-dioxo-6-pent-3-ynoxy-1-pent-3-ynyl-2-cyclohepta[b]pyridinecarboxylic acid IUPAC Name: 4,7-dioxo-6-pent-3-ynoxy-1-pent-3-ynylcyclohepta[b]pyridine-2-carboxylic acid Traditional Name: 4,7-diketo-6-pent-3-ynoxy-1-pent-3-ynyl-cyclohepta[b]pyridine-2-carboxylic acid Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCCN1C2=C(C=C(C(=O)C=C2)OCCC#CC)C(=O)C=C1C(=O)O

Isomeric SMILES

CC#CCCN1C2=C(C=C(C(=O)C=C2)OCCC#CC)C(=O)C=C1C(=O)O

InChI

InChI=1S/C21H19NO5/c1-3-5-7-11-22-16-9-10-18(23)20(27-12-8-6-4-2)13-15(16)19(24)14-17(22)21(25)26/h9-10,13-14H,7-8,11-12H2,1-2H3,(H,25,26)