ethane; N-[(4-iodanyl-1,3-dioxolan-2-yl)methyl]-2,6-dinitro-N-propyl-aniline

Systemtic Name: ethane; N-[(4-iodanyl-1,3-dioxolan-2-yl)methyl]-2,6-dinitro-N-propyl-aniline Openeye Name: ethane; N-[(4-iodo-1,3-dioxolan-2-yl)methyl]-2,6-dinitro-N-propyl-aniline CAS Name: ethane; N-[(4-iodo-1,3-dioxolan-2-yl)methyl]-2,6-dinitro-N-propylaniline IUPAC Name: ethane; N-[(4-iodo-1,3-dioxolan-2-yl)methyl]-2,6-dinitro-N-propylaniline Traditional Name: (2,6-dinitrophenyl)-[(4-iodo-1,3-dioxolan-2-yl)methyl]-propyl-amine; ethane Formula: C15H22IN3O6 MolecularWeight: 467.25615

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCCN(CC1OCC(O1)I)C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC.CCCN(CC1OCC(O1)I)C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16IN3O6.C2H6/c1-2-6-15(7-12-22-8-11(14)23-12)13-9(16(18)19)4-3-5-10(13)17(20)21;1-2/h3-5,11-12H,2,6-8H2,1H3;1-2H3