[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H21N3O5S/c23-18(20-12-15-5-4-10-28-15)13-27-19(24)16-11-14(22(25)26)6-7-17(16)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12-13H2,(H,20,23)