(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-15(16-4-3-9-25-16)11-24-17(21)12-5-6-13(14(10-12)19(22)23)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2