8-bromanyl-6-ethoxy-1-ethyl-4,7-bis(oxidanylidene)-5-phenoxy-cyclohepta[b]pyridine-2-carboxylic acid

Systemtic Name: 8-bromanyl-6-ethoxy-1-ethyl-4,7-bis(oxidanylidene)-5-phenoxy-cyclohepta[b]pyridine-2-carboxylic acid Openeye Name: 8-bromo-6-ethoxy-1-ethyl-4,7-dioxo-5-phenoxy-cyclohepta[b]pyridine-2-carboxylic acid CAS Name: 8-bromo-6-ethoxy-1-ethyl-4,7-dioxo-5-phenoxy-2-cyclohepta[b]pyridinecarboxylic acid IUPAC Name: 8-bromo-6-ethoxy-1-ethyl-4,7-dioxo-5-phenoxycyclohepta[b]pyridine-2-carboxylic acid Traditional Name: 8-bromo-6-ethoxy-1-ethyl-4,7-diketo-5-phenoxy-cyclohepta[b]pyridine-2-carboxylic acid Formula: C21H18BrNO6 MolecularWeight: 460.27472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)C2=C1C=C(C(=O)C(=C2OC3=CC=CC=C3)OCC)Br)C(=O)O

Isomeric SMILES

CCN1C(=CC(=O)C2=C1C=C(C(=O)C(=C2OC3=CC=CC=C3)OCC)Br)C(=O)O

InChI

InChI=1S/C21H18BrNO6/c1-3-23-14-10-13(22)18(25)20(28-4-2)19(29-12-8-6-5-7-9-12)17(14)16(24)11-15(23)21(26)27/h5-11H,3-4H2,1-2H3,(H,26,27)