N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-3-imidazol-1-yl-propan-1-amine

Systemtic Name: N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-3-imidazol-1-yl-propan-1-amine Openeye Name: N-[(2,4-difluoro-5-nitro-phenyl)methyl]-3-imidazol-1-yl-propan-1-amine CAS Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-(1-imidazolyl)-1-propanamine IUPAC Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-imidazol-1-ylpropan-1-amine Traditional Name: (2,4-difluoro-5-nitro-benzyl)-(3-imidazol-1-ylpropyl)amine Formula: C13H14F2N4O2 MolecularWeight: 296.272666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCCNCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14F2N4O2/c14-11-7-12(15)13(19(20)21)6-10(11)8-16-2-1-4-18-5-3-17-9-18/h3,5-7,9,16H,1-2,4,8H2