2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dinitrophenyl)piperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dinitrophenyl)piperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dinitrophenyl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dinitrophenyl)-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dinitrophenyl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dinitrophenyl)piperazino]methanone Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N4O7/c24-19(18-12-29-16-3-1-2-4-17(16)30-18)21-9-7-20(8-10-21)14-6-5-13(22(25)26)11-15(14)23(27)28/h1-6,11,18H,7-10,12H2