4,4-dimethyl-2-[4-[2-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]phenyl]-5H-1,3-oxazole

Systemtic Name: 4,4-dimethyl-2-[4-[2-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]phenyl]-5H-1,3-oxazole Openeye Name: 4,4-dimethyl-2-[4-[4-[(1R)-1-methylheptoxy]-2-nitro-phenyl]phenyl]-5H-oxazole CAS Name: 4,4-dimethyl-2-[4-[2-nitro-4-[(2R)-octan-2-yl]oxyphenyl]phenyl]-5H-oxazole IUPAC Name: 4,4-dimethyl-2-[4-[2-nitro-4-[(2R)-octan-2-yl]oxyphenyl]phenyl]-5H-1,3-oxazole Traditional Name: 4,4-dimethyl-2-[4-[4-[(1R)-1-methylheptoxy]-2-nitro-phenyl]phenyl]-2-oxazoline Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC(CO3)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](C)OC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC(CO3)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H32N2O4/c1-5-6-7-8-9-18(2)31-21-14-15-22(23(16-21)27(28)29)19-10-12-20(13-11-19)24-26-25(3,4)17-30-24/h10-16,18H,5-9,17H2,1-4H3/t18-/m1/s1