4-chloranyl-5-methoxy-6-nitro-2-(2-oxidanylidenepropyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-methoxy-6-nitro-2-(2-oxidanylidenepropyl)pyridazin-3-one Openeye Name: 2-acetonyl-4-chloro-5-methoxy-6-nitro-pyridazin-3-one CAS Name: 4-chloro-5-methoxy-6-nitro-2-(2-oxopropyl)-3-pyridazinone IUPAC Name: 4-chloro-5-methoxy-6-nitro-2-(2-oxopropyl)pyridazin-3-one Traditional Name: 2-acetonyl-4-chloro-5-methoxy-6-nitro-pyridazin-3-one Formula: C8H8ClN3O5 MolecularWeight: 261.61922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])OC)Cl

Isomeric SMILES

CC(=O)CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C8H8ClN3O5/c1-4(13)3-11-8(14)5(9)6(17-2)7(10-11)12(15)16/h3H2,1-2H3