methyl 1-[(4-chloranyl-3-nitro-phenyl)methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-chloranyl-3-nitro-phenyl)methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-chloro-3-nitro-phenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chloro-3-nitrophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-nitro-benzyl)isonipecotic acid methyl ester Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN2O4/c1-21-14(18)11-4-6-16(7-5-11)9-10-2-3-12(15)13(8-10)17(19)20/h2-3,8,11H,4-7,9H2,1H3