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

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)carbonyl-4-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chlorobenzoyl)-4-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-chlorophenyl)-oxomethyl]-4-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorobenzoyl)-4-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chlorobenzoyl)-4-nitro-phenyl]isonipecotic acid ethyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5/c1-2-29-21(26)15-9-11-23(12-10-15)19-8-7-17(24(27)28)13-18(19)20(25)14-3-5-16(22)6-4-14/h3-8,13,15H,2,9-12H2,1H3