1-[4-(1,4-dioxan-2-ylmethylamino)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(1,4-dioxan-2-ylmethylamino)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1,4-dioxan-2-ylmethylamino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(1,4-dioxan-2-ylmethylamino)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1,4-dioxan-2-ylmethylamino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(1,4-dioxan-2-ylmethylamino)-3-nitro-phenyl]ethanone Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2COCCO2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2COCCO2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-9(16)10-2-3-12(13(6-10)15(17)18)14-7-11-8-19-4-5-20-11/h2-3,6,11,14H,4-5,7-8H2,1H3