(4-nitrophenyl)methyl 2-(hydroxymethyl)piperidine-1-carboxylate; (4-nitrophenyl)methyl 3-oxidanylpiperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)piperidine-1-carboxylate; (4-nitrophenyl)methyl 3-oxidanylpiperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)piperidine-1-carboxylate; (4-nitrophenyl)methyl 3-hydroxypiperidine-1-carboxylate CAS Name: 2-(hydroxymethyl)-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester; 3-hydroxy-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)piperidine-1-carboxylate; (4-nitrophenyl)methyl 3-hydroxypiperidine-1-carboxylate Traditional Name: 3-hydroxypiperidine-1-carboxylic acid (4-nitrobenzyl) ester; 2-methylolpiperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H34N4O10 MolecularWeight: 574.57966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].C1CC(CN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(C(C1)CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-].C1CC(CN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H18N2O5.C13H16N2O5/c17-9-13-3-1-2-8-15(13)14(18)21-10-11-4-6-12(7-5-11)16(19)20;16-12-2-1-7-14(8-12)13(17)20-9-10-3-5-11(6-4-10)15(18)19/h4-7,13,17H,1-3,8-10H2;3-6,12,16H,1-2,7-9H2