ethyl 1-(3-methyl-4-nitro-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-methyl-4-nitro-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3-methyl-4-nitro-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(3-methyl-4-nitrophenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3-methyl-4-nitro-benzoyl)isonipecotic acid ethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-3-23-16(20)12-6-8-17(9-7-12)15(19)13-4-5-14(18(21)22)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3