(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]benzothiophen-3-one CAS Name: (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]benzothiophen-3-one Formula: C16H9NO5S MolecularWeight: 327.31136

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)C4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)C4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C16H9NO5S/c18-16-10-3-1-2-4-14(10)23-15(16)6-9-5-12-13(22-8-21-12)7-11(9)17(19)20/h1-7H,8H2/b15-6-