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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N2O5/c1-3-23-16(20)13-5-4-8-17(10-13)15(19)12-6-7-14(18(21)22)11(2)9-12/h6-7,9,13H,3-5,8,10H2,1-2H3/t13-/m0/s1