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

Systemtic Name: 3-ethoxy-N-[(5-fluoranyl-2-nitro-phenyl)methyl]propan-1-amine Openeye Name: 3-ethoxy-N-[(5-fluoro-2-nitro-phenyl)methyl]propan-1-amine CAS Name: 3-ethoxy-N-[(5-fluoro-2-nitrophenyl)methyl]-1-propanamine IUPAC Name: 3-ethoxy-N-[(5-fluoro-2-nitrophenyl)methyl]propan-1-amine Traditional Name: 3-ethoxypropyl-(5-fluoro-2-nitro-benzyl)amine Formula: C12H17FN2O3 MolecularWeight: 256.273383

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNCC1=C(C=CC(=C1)F)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNCC1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C12H17FN2O3/c1-2-18-7-3-6-14-9-10-8-11(13)4-5-12(10)15(16)17/h4-5,8,14H,2-3,6-7,9H2,1H3