ethyl 1-(4-chloranyl-3,5-dinitro-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-chloranyl-3,5-dinitro-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-chloro-3,5-dinitro-benzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-chloro-3,5-dinitrophenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chloro-3,5-dinitrobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-chloro-3,5-dinitro-benzoyl)nipecotic acid ethyl ester Formula: C15H16ClN3O7 MolecularWeight: 385.75644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O7/c1-2-26-15(21)9-4-3-5-17(8-9)14(20)10-6-11(18(22)23)13(16)12(7-10)19(24)25/h6-7,9H,2-5,8H2,1H3