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

Systemtic Name: 5-[2-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[2-(4-benzyloxy-3-iodo-5-methoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[2-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[2-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[2-(4-benzoxy-3-iodo-5-methoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole Formula: C20H17IN2O5 MolecularWeight: 492.26385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H17IN2O5/c1-13-19(23(24)25)17(28-22-13)9-8-15-10-16(21)20(18(11-15)26-2)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3