ethyl 6-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-bromo-4-fluoro-phenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-bromo-4-fluoro-phenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H16BrFN2O3 MolecularWeight: 443.265743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)F)Br)C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)F)Br)C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H16BrFN2O3/c1-2-27-21(26)18-17(13-8-9-16(23)15(22)10-13)14(11-24)20(25)28-19(18)12-6-4-3-5-7-12/h3-10,17H,2,25H2,1H3