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

Systemtic Name: ethyl 1-[2-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[2-(3-nitro-4-pyrrolidin-1-ylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-nitro-4-pyrrolidino-benzoyl)oxyacetyl]isonipecotic acid ethyl ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7/c1-2-30-20(26)15-7-11-23(12-8-15)19(25)14-31-21(27)16-5-6-17(18(13-16)24(28)29)22-9-3-4-10-22/h5-6,13,15H,2-4,7-12,14H2,1H3