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

Systemtic Name: N-[(5-fluoranyl-2-nitro-phenyl)methyl]-3-methyl-butan-1-amine Openeye Name: N-[(5-fluoro-2-nitro-phenyl)methyl]-3-methyl-butan-1-amine CAS Name: N-[(5-fluoro-2-nitrophenyl)methyl]-3-methyl-1-butanamine IUPAC Name: N-[(5-fluoro-2-nitrophenyl)methyl]-3-methylbutan-1-amine Traditional Name: (5-fluoro-2-nitro-benzyl)-isoamyl-amine Formula: C12H17FN2O2 MolecularWeight: 240.273983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=C(C=CC(=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNCC1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C12H17FN2O2/c1-9(2)5-6-14-8-10-7-11(13)3-4-12(10)15(16)17/h3-4,7,9,14H,5-6,8H2,1-2H3