N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-1-pyridin-4-yl-ethanamine

Systemtic Name: N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-1-pyridin-4-yl-ethanamine Openeye Name: N-[(2,4-difluoro-5-nitro-phenyl)methyl]-1-(4-pyridyl)ethanamine CAS Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-pyridin-4-ylethanamine IUPAC Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-pyridin-4-ylethanamine Traditional Name: (2,4-difluoro-5-nitro-benzyl)-[1-(4-pyridyl)ethyl]amine Formula: C14H13F2N3O2 MolecularWeight: 293.268726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=NC=C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13F2N3O2/c1-9(10-2-4-17-5-3-10)18-8-11-6-14(19(20)21)13(16)7-12(11)15/h2-7,9,18H,8H2,1H3