methyl 6-azanyl-5-cyano-4-(2-iodanylphenyl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-4-(2-iodanylphenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-4-(2-iodophenyl)-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(2-iodophenyl)-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-4-(2-iodophenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(2-iodophenyl)-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C15H13IN2O3 MolecularWeight: 396.17979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2I)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2I)C(=O)OC

InChI

InChI=1S/C15H13IN2O3/c1-8-12(15(19)20-2)13(10(7-17)14(18)21-8)9-5-3-4-6-11(9)16/h3-6,13H,18H2,1-2H3