5-[2-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole

Systemtic Name: 5-[2-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[2-(4-benzyloxy-3-chloro-5-ethoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[2-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)ethenyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[2-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[2-(4-benzoxy-3-chloro-5-ethoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=C(C(=NO2)C)[N+](=O)[O-])Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=CC2=C(C(=NO2)C)[N+](=O)[O-])Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O5/c1-3-27-19-12-16(9-10-18-20(24(25)26)14(2)23-29-18)11-17(22)21(19)28-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3