ethyl 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3-nitro-4-pyrrolidin-1-yl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3-nitro-4-pyrrolidino-benzoyl)isonipecotic acid ethyl ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-2-27-19(24)14-7-11-21(12-8-14)18(23)15-5-6-16(17(13-15)22(25)26)20-9-3-4-10-20/h5-6,13-14H,2-4,7-12H2,1H3