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

Systemtic Name: methyl 1-(4-chloranyl-3,5-dinitro-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-chloro-3,5-dinitro-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chloro-3,5-dinitrophenyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chloro-3,5-dinitrobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chloro-3,5-dinitro-benzoyl)isonipecotic acid methyl ester Formula: C14H14ClN3O7 MolecularWeight: 371.72986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O7/c1-25-14(20)8-2-4-16(5-3-8)13(19)9-6-10(17(21)22)12(15)11(7-9)18(23)24/h6-8H,2-5H2,1H3