(4-bromanyl-3-nitro-phenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone Openeye Name: (4-bromo-3-nitro-phenyl)-[2-(hydroxymethyl)-1-piperidyl]methanone CAS Name: (4-bromo-3-nitrophenyl)-[2-(hydroxymethyl)-1-piperidinyl]methanone IUPAC Name: (4-bromo-3-nitrophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone Traditional Name: (4-bromo-3-nitro-phenyl)-(2-methylolpiperidino)methanone Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CO)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN2O4/c14-11-5-4-9(7-12(11)16(19)20)13(18)15-6-2-1-3-10(15)8-17/h4-5,7,10,17H,1-3,6,8H2