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

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(4-nitrophenoxy)ethanone Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c25-20(14-29-16-7-5-15(6-8-16)24(27)28)22-9-11-23(12-10-22)21(26)19-13-30-17-3-1-2-4-18(17)31-19/h1-8,19H,9-14H2