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

Systemtic Name: (phenylmethyl) 6-azanyl-5-cyano-4-(2-iodanylphenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H17IN2O3 MolecularWeight: 472.27575

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2I)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H17IN2O3/c1-13-18(21(25)26-12-14-7-3-2-4-8-14)19(16(11-23)20(24)27-13)15-9-5-6-10-17(15)22/h2-10,19H,12,24H2,1H3