ethyl 6-azanyl-5-cyano-4-(3,4-diethoxy-5-iodanyl-phenyl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(3,4-diethoxy-5-iodanyl-phenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(3,4-diethoxy-5-iodo-phenyl)-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3,4-diethoxy-5-iodophenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(3,4-diethoxy-5-iodophenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(3,4-diethoxy-5-iodo-phenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C20H23IN2O5 MolecularWeight: 498.31149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)I)OCC

InChI

InChI=1S/C20H23IN2O5/c1-5-25-15-9-12(8-14(21)18(15)26-6-2)17-13(10-22)19(23)28-11(4)16(17)20(24)27-7-3/h8-9,17H,5-7,23H2,1-4H3