4,5-bis(chloranyl)-2-[[2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-5-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-5-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[2-(4-nitrophenyl)-3-oxo-1H-pyrazol-5-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[2-(4-nitrophenyl)-3-oxo-1H-pyrazol-5-yl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[2-(4-nitrophenyl)-3-oxo-1H-pyrazol-5-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[5-keto-1-(4-nitrophenyl)-3-pyrazolin-3-yl]methyl]pyridazin-3-one Formula: C14H9Cl2N5O4 MolecularWeight: 382.15836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=C(N2)CN3C(=O)C(=C(C=N3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=C(N2)CN3C(=O)C(=C(C=N3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9Cl2N5O4/c15-11-6-17-19(14(23)13(11)16)7-8-5-12(22)20(18-8)9-1-3-10(4-2-9)21(24)25/h1-6,18H,7H2