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

Systemtic Name: ethyl 1-[2-(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-nitro-4-(1-piperidyl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-nitro-4-piperidin-1-ylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-nitro-4-piperidino-benzoyl)oxyacetyl]isonipecotic acid ethyl ester Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7/c1-2-31-21(27)16-8-12-24(13-9-16)20(26)15-32-22(28)17-6-7-18(19(14-17)25(29)30)23-10-4-3-5-11-23/h6-7,14,16H,2-5,8-13,15H2,1H3