(2Z)-2-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-2-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-2-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]benzothiophen-3-one CAS Name: (2Z)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-2-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)benzothiophen-3-one Formula: C17H13NO5S MolecularWeight: 343.35382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)C3=CC=CC=C3S2)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)C3=CC=CC=C3S2)O

InChI

InChI=1S/C17H13NO5S/c1-2-23-13-9-11(18(21)22)7-10(16(13)19)8-15-17(20)12-5-3-4-6-14(12)24-15/h3-9,19H,2H2,1H3/b15-8-