5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-nitro-phenoxy]heptyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-nitro-phenoxy]heptyl]-3-methyl-1,2-oxazole Openeye Name: 5-[7-[4-(4,5-dihydrooxazol-2-yl)-2-nitro-phenoxy]heptyl]-3-methyl-isoxazole CAS Name: 5-[7-[4-(4,5-dihydrooxazol-2-yl)-2-nitrophenoxy]heptyl]-3-methylisoxazole IUPAC Name: 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-nitrophenoxy]heptyl]-3-methyl-1,2-oxazole Traditional Name: 3-methyl-5-[7-[2-nitro-4-(2-oxazolin-2-yl)phenoxy]heptyl]isoxazole Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CCCCCCCOC2=C(C=C(C=C2)C3=NCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CCCCCCCOC2=C(C=C(C=C2)C3=NCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c1-15-13-17(28-22-15)7-5-3-2-4-6-11-26-19-9-8-16(14-18(19)23(24)25)20-21-10-12-27-20/h8-9,13-14H,2-7,10-12H2,1H3