(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-nitrobenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-nitrobenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO5S/c15-11(12-5-2-6-20-12)8-19-13(16)9-3-1-4-10(7-9)14(17)18/h1-7H,8H2