(2Z)-4-ethanoyl-2-[(4-nitrophenyl)methylidene]-5-oxidanyl-thiophen-3-one

Systemtic Name: (2Z)-4-ethanoyl-2-[(4-nitrophenyl)methylidene]-5-oxidanyl-thiophen-3-one Openeye Name: (2Z)-4-acetyl-5-hydroxy-2-[(4-nitrophenyl)methylene]thiophen-3-one CAS Name: (2Z)-4-acetyl-5-hydroxy-2-[(4-nitrophenyl)methylidene]-3-thiophenone IUPAC Name: (2Z)-4-acetyl-5-hydroxy-2-[(4-nitrophenyl)methylidene]thiophen-3-one Traditional Name: (2Z)-4-acetyl-5-hydroxy-2-(4-nitrobenzylidene)thiophen-3-one Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(SC(=CC2=CC=C(C=C2)[N+](=O)[O-])C1=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO5S/c1-7(15)11-12(16)10(20-13(11)17)6-8-2-4-9(5-3-8)14(18)19/h2-6,17H,1H3/b10-6-