2-(2-chloranyl-4-nitro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]ethanone Formula: C21H20ClN3O7 MolecularWeight: 461.8524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20ClN3O7/c22-15-11-14(25(28)29)5-6-16(15)31-13-20(26)23-7-9-24(10-8-23)21(27)19-12-30-17-3-1-2-4-18(17)32-19/h1-6,11,19H,7-10,12-13H2