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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC(=C(C=C1F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNCC1=CC(=C(C=C1F)F)[N+](=O)[O-]

InChI

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