2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-nitrobenzoyl)piperazino]methanone Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c24-19(14-5-7-15(8-6-14)23(26)27)21-9-11-22(12-10-21)20(25)18-13-28-16-3-1-2-4-17(16)29-18/h1-8,18H,9-13H2