(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c20-15(16-2-1-9-26-16)11-25-17(21)12-3-4-13(14(10-12)19(22)23)18-5-7-24-8-6-18/h1-4,9-10H,5-8,11H2