8-bromanyl-5-oxidanyl-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile

Systemtic Name: 8-bromanyl-5-oxidanyl-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile Openeye Name: 8-bromo-5-hydroxy-3-phenyl-isochromane-1-carbonitrile CAS Name: 8-bromo-5-hydroxy-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-carbonitrile IUPAC Name: 8-bromo-5-hydroxy-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile Traditional Name: 8-bromo-5-hydroxy-3-phenyl-isochroman-1-carbonitrile Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C2=C(C=CC(=C21)O)Br)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C(OC(C2=C(C=CC(=C21)O)Br)C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H12BrNO2/c17-12-6-7-13(19)11-8-14(10-4-2-1-3-5-10)20-15(9-18)16(11)12/h1-7,14-15,19H,8H2