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

Systemtic Name: 5-[2-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[2-(3-ethoxy-5-iodo-4-methoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[2-(3-ethoxy-5-iodo-4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[2-(3-ethoxy-5-iodo-4-methoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole Formula: C15H15IN2O5 MolecularWeight: 430.19447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=C(C(=NO2)C)[N+](=O)[O-])I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=CC2=C(C(=NO2)C)[N+](=O)[O-])I)OC

InChI

InChI=1S/C15H15IN2O5/c1-4-22-13-8-10(7-11(16)15(13)21-3)5-6-12-14(18(19)20)9(2)17-23-12/h5-8H,4H2,1-3H3