1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O8/c1-30-16-7-6-15(25(28)29)12-19(16)32-14-21(26)23-8-10-24(11-9-23)22(27)20-13-31-17-4-2-3-5-18(17)33-20/h2-7,12,20H,8-11,13-14H2,1H3