N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]pentan-3-amine

Systemtic Name: N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]pentan-3-amine Openeye Name: N-[(2,4-difluoro-5-nitro-phenyl)methyl]pentan-3-amine CAS Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-pentanamine IUPAC Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]pentan-3-amine Traditional Name: (2,4-difluoro-5-nitro-benzyl)-(1-ethylpropyl)amine Formula: C12H16F2N2O2 MolecularWeight: 258.264446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC(=C(C=C1F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NCC1=CC(=C(C=C1F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H16F2N2O2/c1-3-9(4-2)15-7-8-5-12(16(17)18)11(14)6-10(8)13/h5-6,9,15H,3-4,7H2,1-2H3