4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]butyl benzoate

Systemtic Name: 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]butyl benzoate Openeye Name: 4-(4,5-dichloro-6-oxo-pyridazin-1-yl)butyl benzoate CAS Name: benzoic acid 4-(4,5-dichloro-6-oxo-1-pyridazinyl)butyl ester IUPAC Name: 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl benzoate Traditional Name: benzoic acid 4-(4,5-dichloro-6-keto-pyridazin-1-yl)butyl ester Formula: C15H14Cl2N2O3 MolecularWeight: 341.18926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C(=C(C=N2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCCN2C(=O)C(=C(C=N2)Cl)Cl

InChI

InChI=1S/C15H14Cl2N2O3/c16-12-10-18-19(14(20)13(12)17)8-4-5-9-22-15(21)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2