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4-[3-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid

4-[3-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name:4-[3-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
Openeye Name:4-[3-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CAS Name:4-[3-nitro-2-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid
IUPAC Name:4-[3-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
Traditional Name:4-[3-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
Formula: C12H12F3N3O4
MolecularWeight: 319.23659
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O


Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O


InChI

InChI=1S/C12H12F3N3O4/c13-12(14,15)10-8(2-1-3-9(10)18(21)22)16-4-6-17(7-5-16)11(19)20/h1-3H,4-7H2,(H,19,20)


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