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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H23N3O5/c22-17(20-10-2-1-3-11-20)13-26-18(23)15-12-14(21(24)25)6-7-16(15)19-8-4-5-9-19/h6-7,12H,1-5,8-11,13H2