methyl 1-[2-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-nitro-2-pyrrolidin-1-yl-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-nitro-2-pyrrolidin-1-ylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-nitro-2-pyrrolidino-benzoyl)oxyacetyl]isonipecotic acid methyl ester Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7/c1-29-19(25)14-6-10-22(11-7-14)18(24)13-30-20(26)16-12-15(23(27)28)4-5-17(16)21-8-2-3-9-21/h4-5,12,14H,2-3,6-11,13H2,1H3