[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-azanyl-5-iodanyl-benzoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H16IN3O5 MolecularWeight: 481.24121

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)I)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)I)N)OC

InChI

InChI=1S/C18H16IN3O5/c1-24-11-4-5-12(15(8-11)25-2)17-21-16(27-22-17)9-26-18(23)13-7-10(19)3-6-14(13)20/h3-8H,9,20H2,1-2H3