3-[4-(4-heptoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 3-[4-(4-heptoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 3-[4-(4-heptoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 3-[4-(4-heptoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 3-[4-(4-heptoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 3-[4-(4-heptoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O4/c1-2-3-4-5-6-19-33-25-17-13-21(14-18-25)20-7-9-22(10-8-20)26-28-27(34-29-26)23-11-15-24(16-12-23)30(31)32/h7-18H,2-6,19H2,1H3