2-piperidin-1-ylethanoyl 1-(3-methoxy-4-nitro-phenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: 2-piperidin-1-ylethanoyl 1-(3-methoxy-4-nitro-phenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: [2-(1-piperidyl)acetyl] 1-(3-methoxy-4-nitro-benzoyl)pyrrolidine-2-carboxylate CAS Name: 1-[(3-methoxy-4-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid [1-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-piperidin-1-ylacetyl) 1-(3-methoxy-4-nitrobenzoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(3-methoxy-4-nitro-benzoyl)pyrrolidine-2-carboxylic acid (2-piperidinoacetyl) ester Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCC2C(=O)OC(=O)CN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCC2C(=O)OC(=O)CN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O7/c1-29-17-12-14(7-8-15(17)23(27)28)19(25)22-11-5-6-16(22)20(26)30-18(24)13-21-9-3-2-4-10-21/h7-8,12,16H,2-6,9-11,13H2,1H3