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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: homopiperonyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O4/c17-16(18,19)11-2-3-12(13(8-11)21(22)23)20-6-5-10-1-4-14-15(7-10)25-9-24-14/h1-4,7-8,20H,5-6,9H2