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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C15H19N3O6/c19-8-5-16-13-4-3-11(18(22)23)9-12(13)15(21)24-10-14(20)17-6-1-2-7-17/h3-4,9,16,19H,1-2,5-8,10H2