2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-bromanyl-pentanoyl]-1H-pyridazine-3-carboxylic acid

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-bromanyl-pentanoyl]-1H-pyridazine-3-carboxylic acid Openeye Name: 2-[5-bromo-2-(1,3-dioxoisoindolin-2-yl)pentanoyl]-1H-pyridazine-3-carboxylic acid CAS Name: 2-[5-bromo-2-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]-1H-pyridazine-3-carboxylic acid IUPAC Name: 2-[5-bromo-2-(1,3-dioxoisoindol-2-yl)pentanoyl]-1H-pyridazine-3-carboxylic acid Traditional Name: 2-(5-bromo-2-phthalimido-pentanoyl)-1H-pyridazine-3-carboxylic acid Formula: C18H16BrN3O5 MolecularWeight: 434.24074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCCBr)C(=O)N3C(=CC=CN3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCCBr)C(=O)N3C(=CC=CN3)C(=O)O

InChI

InChI=1S/C18H16BrN3O5/c19-9-3-7-13(17(25)22-14(18(26)27)8-4-10-20-22)21-15(23)11-5-1-2-6-12(11)16(21)24/h1-2,4-6,8,10,13,20H,3,7,9H2,(H,26,27)