methyl (2E)-2-[(5-nitrothiophen-2-yl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(5-nitrothiophen-2-yl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(5-nitro-2-thienyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(5-nitro-2-thiophenyl)methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(5-nitro-2-thienyl)acrylic acid methyl ester Formula: C10H9NO5S MolecularWeight: 255.24716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(S1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\C1=CC=C(S1)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C10H9NO5S/c1-6(12)8(10(13)16-2)5-7-3-4-9(17-7)11(14)15/h3-5H,1-2H3/b8-5+