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

Systemtic Name: 5-[(E)-2-(3-iodanyl-5-methoxy-4-propoxy-phenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[(E)-2-(3-iodo-5-methoxy-4-propoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[(E)-2-(3-iodo-5-methoxy-4-propoxyphenyl)ethenyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[(E)-2-(3-iodo-5-methoxy-4-propoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[(E)-2-(3-iodo-5-methoxy-4-propoxy-phenyl)vinyl]-3-methyl-4-nitro-isoxazole Formula: C16H17IN2O5 MolecularWeight: 444.22105

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=CC2=C(C(=NO2)C)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C/C2=C(C(=NO2)C)[N+](=O)[O-])OC

InChI

InChI=1S/C16H17IN2O5/c1-4-7-23-16-12(17)8-11(9-14(16)22-3)5-6-13-15(19(20)21)10(2)18-24-13/h5-6,8-9H,4,7H2,1-3H3/b6-5+