N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoranyl-2-nitro-aniline

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoranyl-2-nitro-aniline Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoro-2-nitro-aniline CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoro-2-nitroaniline IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-fluoro-2-nitroaniline Traditional Name: (4-fluoro-2-nitro-phenyl)-homopiperonyl-amine Formula: C15H13FN2O4 MolecularWeight: 304.273123

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13FN2O4/c16-11-2-3-12(13(8-11)18(19)20)17-6-5-10-1-4-14-15(7-10)22-9-21-14/h1-4,7-8,17H,5-6,9H2