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

Systemtic Name: (phenylmethyl) 6-azanyl-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: benzyl 6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-bromophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid benzyl ester Formula: C21H17BrN2O3 MolecularWeight: 425.27528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O3/c1-13-18(21(25)26-12-14-6-3-2-4-7-14)19(17(11-23)20(24)27-13)15-8-5-9-16(22)10-15/h2-10,19H,12,24H2,1H3