5-dodecoxy-3-(2-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one

Systemtic Name: 5-dodecoxy-3-(2-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one Openeye Name: 5-dodecoxy-3-(2-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one CAS Name: 5-dodecoxy-3-(2-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-dodecoxy-3-(2-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-one Traditional Name: 5-lauryloxy-3-(2-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NN(C(=O)O1)C2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCOC1=NN(C(=O)O1)C2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H31N3O5/c1-3-4-5-6-7-8-9-10-11-12-15-28-20-22-23(21(25)29-20)19-14-13-18(24(26)27)16-17(19)2/h13-14,16H,3-12,15H2,1-2H3