N-[(4-bromanyl-1,3-dioxan-2-yl)methyl]-2-[5-(4-fluoranylphenoxy)-2-nitro-phenoxy]propanamide

Systemtic Name: N-[(4-bromanyl-1,3-dioxan-2-yl)methyl]-2-[5-(4-fluoranylphenoxy)-2-nitro-phenoxy]propanamide Openeye Name: N-[(4-bromo-1,3-dioxan-2-yl)methyl]-2-[5-(4-fluorophenoxy)-2-nitro-phenoxy]propanamide CAS Name: N-[(4-bromo-1,3-dioxan-2-yl)methyl]-2-[5-(4-fluorophenoxy)-2-nitrophenoxy]propanamide IUPAC Name: N-[(4-bromo-1,3-dioxan-2-yl)methyl]-2-[5-(4-fluorophenoxy)-2-nitrophenoxy]propanamide Traditional Name: N-[(4-bromo-1,3-dioxan-2-yl)methyl]-2-[5-(4-fluorophenoxy)-2-nitro-phenoxy]propionamide Formula: C20H20BrFN2O7 MolecularWeight: 499.284403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1OCCC(O1)Br)OC2=C(C=CC(=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1OCCC(O1)Br)OC2=C(C=CC(=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrFN2O7/c1-12(20(25)23-11-19-28-9-8-18(21)31-19)29-17-10-15(6-7-16(17)24(26)27)30-14-4-2-13(22)3-5-14/h2-7,10,12,18-19H,8-9,11H2,1H3,(H,23,25)