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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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