2-[5-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: 2-[5-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: 2-[5-(3-ethoxy-5-iodo-4-methoxy-phenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2-tetrazolyl]acetate IUPAC Name: 2-[5-(3-ethoxy-5-iodo-4-methoxyphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(3-ethoxy-5-iodo-4-methoxy-phenyl)tetrazol-2-yl]acetate Formula: C12H12IN4O4- MolecularWeight: 403.15255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NN(N=N2)CC(=O)[O-])I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NN(N=N2)CC(=O)[O-])I)OC

InChI

InChI=1S/C12H13IN4O4/c1-3-21-9-5-7(4-8(13)11(9)20-2)12-14-16-17(15-12)6-10(18)19/h4-5H,3,6H2,1-2H3,(H,18,19)/p-1