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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13BrN2O5/c14-10-4-3-8(6-11(10)16(20)21)12(17)15-5-1-2-9(7-15)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,18,19)