1-(4-bromanyl-3-nitro-phenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-nitro-phenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-bromo-3-nitro-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(4-bromo-3-nitrophenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-3-nitrobenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-bromo-3-nitro-benzoyl)isonipecotic acid Formula: C13H13BrN2O5 MolecularWeight: 357.15672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN2O5/c14-10-2-1-9(7-11(10)16(20)21)12(17)15-5-3-8(4-6-15)13(18)19/h1-2,7-8H,3-6H2,(H,18,19)