1-(3-nitrophenyl)piperidin-4-amine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-(3-nitrophenyl)piperidin-4-amine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(3-nitrophenyl)piperidin-4-amine; 2,2,2-trifluoroacetic acid CAS Name: 1-(3-nitrophenyl)-4-piperidinamine; 2,2,2-trifluoroacetic acid IUPAC Name: 1-(3-nitrophenyl)piperidin-4-amine; 2,2,2-trifluoroacetic acid Traditional Name: [1-(3-nitrophenyl)-4-piperidyl]amine; 2,2,2-trifluoroacetic acid Formula: C13H16F3N3O4 MolecularWeight: 335.27905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1N)C2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H15N3O2.C2HF3O2/c12-9-4-6-13(7-5-9)10-2-1-3-11(8-10)14(15)16;3-2(4,5)1(6)7/h1-3,8-9H,4-7,12H2;(H,6,7)