5-dodecoxy-3-[3-[(4-fluorophenyl)methoxy]-4-nitro-phenyl]-1,3,4-oxadiazol-2-one

Systemtic Name: 5-dodecoxy-3-[3-[(4-fluorophenyl)methoxy]-4-nitro-phenyl]-1,3,4-oxadiazol-2-one Openeye Name: 5-dodecoxy-3-[3-[(4-fluorophenyl)methoxy]-4-nitro-phenyl]-1,3,4-oxadiazol-2-one CAS Name: 5-dodecoxy-3-[3-[(4-fluorophenyl)methoxy]-4-nitrophenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 5-dodecoxy-3-[3-[(4-fluorophenyl)methoxy]-4-nitrophenyl]-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-(4-fluorobenzyl)oxy-4-nitro-phenyl]-5-lauryloxy-1,3,4-oxadiazol-2-one Formula: C27H34FN3O6 MolecularWeight: 515.573763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NN(C(=O)O1)C2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCCCCCOC1=NN(C(=O)O1)C2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)F

InChI

InChI=1S/C27H34FN3O6/c1-2-3-4-5-6-7-8-9-10-11-18-35-26-29-30(27(32)37-26)23-16-17-24(31(33)34)25(19-23)36-20-21-12-14-22(28)15-13-21/h12-17,19H,2-11,18,20H2,1H3