methyl 1-[2-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-nitro-4-pyrrolidin-1-yl-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-nitro-4-pyrrolidin-1-ylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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