(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C16H21N3O6/c20-9-6-17-14-5-4-12(19(23)24)10-13(14)16(22)25-11-15(21)18-7-2-1-3-8-18/h4-5,10,17,20H,1-3,6-9,11H2