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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-methyl-4-nitro-benzoyl)piperazino]methanone Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-14-12-15(6-7-16(14)24(27)28)20(25)22-8-10-23(11-9-22)21(26)19-13-29-17-4-2-3-5-18(17)30-19/h2-7,12,19H,8-11,13H2,1H3