ethyl 2-azanyl-4-(4-bromanyl-3-fluoranyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(4-bromanyl-3-fluoranyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(4-bromo-3-fluoro-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(4-bromo-3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(4-bromo-3-fluoro-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C18H17BrFNO4 MolecularWeight: 410.234283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)Br)F)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)Br)F)C(=O)CCC2)N

InChI

InChI=1S/C18H17BrFNO4/c1-2-24-18(23)16-14(9-6-7-10(19)11(20)8-9)15-12(22)4-3-5-13(15)25-17(16)21/h6-8,14H,2-5,21H2,1H3