ethyl 2-(5-nitro-1-benzothiophen-2-yl)-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-(5-nitro-1-benzothiophen-2-yl)-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-(5-nitrobenzothiophen-2-yl)-2-oxo-acetate CAS Name: 2-(5-nitro-1-benzothiophen-2-yl)-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-(5-nitro-1-benzothiophen-2-yl)-2-oxoacetate Traditional Name: 2-keto-2-(5-nitrobenzothiophen-2-yl)acetic acid ethyl ester Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO5S/c1-2-18-12(15)11(14)10-6-7-5-8(13(16)17)3-4-9(7)19-10/h3-6H,2H2,1H3