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

Systemtic Name: 2-azanyl-4-(4-bromanyl-2-fluoranyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-fluoro-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-fluoro-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C16H12BrFN2O2 MolecularWeight: 363.181083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)Br)F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)Br)F)C(=O)C1

InChI

InChI=1S/C16H12BrFN2O2/c17-8-4-5-9(11(18)6-8)14-10(7-19)16(20)22-13-3-1-2-12(21)15(13)14/h4-6,14H,1-3,20H2