6-methyl-3-[2-(5-nitrothiophen-2-yl)ethanoyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-[2-(5-nitrothiophen-2-yl)ethanoyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-[2-(5-nitro-2-thienyl)acetyl]pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[2-(5-nitro-2-thiophenyl)-1-oxoethyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-[2-(5-nitrothiophen-2-yl)acetyl]pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[2-(5-nitro-2-thienyl)acetyl]pyran-4-one Formula: C12H9NO6S MolecularWeight: 295.26796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(=O)CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)CC2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO6S/c1-6-4-8(14)11(12(16)19-6)9(15)5-7-2-3-10(20-7)13(17)18/h2-4,16H,5H2,1H3