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

Systemtic Name: 6-bromanyl-5-oxidanyl-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile Openeye Name: 6-bromo-5-hydroxy-3-phenyl-isochromane-1-carbonitrile CAS Name: 6-bromo-5-hydroxy-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-carbonitrile IUPAC Name: 6-bromo-5-hydroxy-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile Traditional Name: 6-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=C1C(=C(C=C2)Br)O)C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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