diethyl 2-(3-nitro-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioate

Systemtic Name: diethyl 2-(3-nitro-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioate Openeye Name: diethyl 2-(3-nitro-7-oxo-5,6-dihydro-4H-benzothiophen-6-yl)propanedioate CAS Name: 2-(3-nitro-7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-nitro-7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioate Traditional Name: 2-(7-keto-3-nitro-5,6-dihydro-4H-benzothiophen-6-yl)malonic acid diethyl ester Formula: C15H17NO7S MolecularWeight: 355.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCC2=C(C1=O)SC=C2[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1CCC2=C(C1=O)SC=C2[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H17NO7S/c1-3-22-14(18)11(15(19)23-4-2)9-6-5-8-10(16(20)21)7-24-13(8)12(9)17/h7,9,11H,3-6H2,1-2H3