5-ethanoyl-2-methyl-4-methylsulfonyl-6-(4-nitrophenyl)pyridazin-3-one

Systemtic Name: 5-ethanoyl-2-methyl-4-methylsulfonyl-6-(4-nitrophenyl)pyridazin-3-one Openeye Name: 5-acetyl-2-methyl-4-methylsulfonyl-6-(4-nitrophenyl)pyridazin-3-one CAS Name: 5-acetyl-2-methyl-4-methylsulfonyl-6-(4-nitrophenyl)-3-pyridazinone IUPAC Name: 5-acetyl-2-methyl-4-methylsulfonyl-6-(4-nitrophenyl)pyridazin-3-one Traditional Name: 5-acetyl-4-mesyl-2-methyl-6-(4-nitrophenyl)pyridazin-3-one Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C)S(=O)(=O)C

InChI

InChI=1S/C14H13N3O6S/c1-8(18)11-12(9-4-6-10(7-5-9)17(20)21)15-16(2)14(19)13(11)24(3,22)23/h4-7H,1-3H3