ethyl 1-[2-nitro-4-(phenylcarbonyl)phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-nitro-4-(phenylcarbonyl)phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(4-benzoyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-(4-benzoyl-2-nitrophenyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-benzoyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-benzoyl-2-nitro-phenyl)isonipecotic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-2-28-21(25)16-10-12-22(13-11-16)18-9-8-17(14-19(18)23(26)27)20(24)15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3