methyl 1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2-chloro-5-nitro-phenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-5-nitrophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-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=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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