ethyl 1-(2-nitro-1-thiophen-2-yl-ethyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-(2-nitro-1-thiophen-2-yl-ethyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 1-[2-nitro-1-(2-thienyl)ethyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-(2-nitro-1-thiophen-2-ylethyl)-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-nitro-1-thiophen-2-ylethyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-1-[2-nitro-1-(2-thienyl)ethyl]cyclohexanecarboxylic acid ethyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)C(C[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1(CCCCC1=O)C(C[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C15H19NO5S/c1-2-21-14(18)15(8-4-3-7-13(15)17)11(10-16(19)20)12-6-5-9-22-12/h5-6,9,11H,2-4,7-8,10H2,1H3