2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H18F3N3O5 MolecularWeight: 437.36923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18F3N3O5/c21-20(22,23)13-5-6-14(15(11-13)26(28)29)24-7-9-25(10-8-24)19(27)18-12-30-16-3-1-2-4-17(16)31-18/h1-6,11,18H,7-10,12H2