4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-bromanylpyridine-3-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid 4-phthalimidobutyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H15BrN2O4/c19-13-9-12(10-20-11-13)18(24)25-8-4-3-7-21-16(22)14-5-1-2-6-15(14)17(21)23/h1-2,5-6,9-11H,3-4,7-8H2