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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-oxidanyl-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-hydroxy-phenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-hydroxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-hydroxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-hydroxy-phenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H17BrN2O3 MolecularWeight: 437.28598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC(=C(C2C3=C(C=CC(=C3)Br)O)C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C2=C1OC(=C(C2C3=C(C=CC(=C3)Br)O)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrN2O3/c23-14-6-7-17(26)15(10-14)20-16(11-24)22(25)28-19-9-13(8-18(27)21(19)20)12-4-2-1-3-5-12/h1-7,10,13,20,26H,8-9,25H2