1-(4-bromanyl-2-nitro-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-nitro-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-bromo-2-nitro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(4-bromo-2-nitrophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-2-nitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-bromo-2-nitro-phenyl)isonipecotic acid Formula: C12H13BrN2O4 MolecularWeight: 329.14662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O4/c13-9-1-2-10(11(7-9)15(18)19)14-5-3-8(4-6-14)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)