ethyl 1-[(5-nitro-2-oxidanyl-phenyl)methyl]piperidine-3-carboxylate hydrochloride

Systemtic Name: ethyl 1-[(5-nitro-2-oxidanyl-phenyl)methyl]piperidine-3-carboxylate hydrochloride Openeye Name: ethyl 1-[(2-hydroxy-5-nitro-phenyl)methyl]piperidine-3-carboxylate hydrochloride CAS Name: 1-[(2-hydroxy-5-nitrophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[(2-hydroxy-5-nitrophenyl)methyl]piperidine-3-carboxylate hydrochloride Traditional Name: 1-(2-hydroxy-5-nitro-benzyl)nipecotic acid ethyl ester hydrochloride Formula: C15H21ClN2O5 MolecularWeight: 344.79064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(C=CC(=C2)[N+](=O)[O-])O.Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=C(C=CC(=C2)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C15H20N2O5.ClH/c1-2-22-15(19)11-4-3-7-16(9-11)10-12-8-13(17(20)21)5-6-14(12)18;/h5-6,8,11,18H,2-4,7,9-10H2,1H3;1H