ethyl 6-azanyl-4-[3,5-bis(iodanyl)-4-prop-2-enoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-[3,5-bis(iodanyl)-4-prop-2-enoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 4-(4-allyloxy-3,5-diiodo-phenyl)-6-amino-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3,5-diiodo-4-prop-2-enoxyphenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(3,5-diiodo-4-prop-2-enoxyphenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: 4-(4-allyloxy-3,5-diiodo-phenyl)-6-amino-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C19H18I2N2O4 MolecularWeight: 592.16616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)I)OCC=C)I)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)I)OCC=C)I)C#N)N)C

InChI

InChI=1S/C19H18I2N2O4/c1-4-6-26-17-13(20)7-11(8-14(17)21)16-12(9-22)18(23)27-10(3)15(16)19(24)25-5-2/h4,7-8,16H,1,5-6,23H2,2-3H3