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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c21-16(17-5-4-10-26-17)12-25-18(22)13-6-7-14(15(11-13)20(23)24)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2