(3Z)-5-ethyl-3-[(5-nitro-2-oxidanyl-phenyl)methylidene]thiophen-2-one

Systemtic Name: (3Z)-5-ethyl-3-[(5-nitro-2-oxidanyl-phenyl)methylidene]thiophen-2-one Openeye Name: (3Z)-5-ethyl-3-[(2-hydroxy-5-nitro-phenyl)methylene]thiophen-2-one CAS Name: (3Z)-5-ethyl-3-[(2-hydroxy-5-nitrophenyl)methylidene]-2-thiophenone IUPAC Name: (3Z)-5-ethyl-3-[(2-hydroxy-5-nitrophenyl)methylidene]thiophen-2-one Traditional Name: (3Z)-5-ethyl-3-(2-hydroxy-5-nitro-benzylidene)thiophen-2-one Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)S1

Isomeric SMILES

CCC1=C/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])O)/C(=O)S1

InChI

InChI=1S/C13H11NO4S/c1-2-11-7-9(13(16)19-11)5-8-6-10(14(17)18)3-4-12(8)15/h3-7,15H,2H2,1H3/b9-5-