3-(9-bromanyl-1-oxidanylidene-2H-benzo[h]isoquinolin-6-yl)propanenitrile

Systemtic Name: 3-(9-bromanyl-1-oxidanylidene-2H-benzo[h]isoquinolin-6-yl)propanenitrile Openeye Name: 3-(9-bromo-1-oxo-2H-benzo[h]isoquinolin-6-yl)propanenitrile CAS Name: 3-(9-bromo-1-oxo-2H-benzo[h]isoquinolin-6-yl)propanenitrile IUPAC Name: 3-(9-bromo-1-oxo-2H-benzo[h]isoquinolin-6-yl)propanenitrile Traditional Name: 3-(9-bromo-1-keto-2H-benz[h]isoquinolin-6-yl)propionitrile Formula: C16H11BrN2O MolecularWeight: 327.17534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C3C=CNC(=O)C3=C2C=C1Br)CCC#N

Isomeric SMILES

C1=CC2=C(C=C3C=CNC(=O)C3=C2C=C1Br)CCC#N

InChI

InChI=1S/C16H11BrN2O/c17-12-3-4-13-10(2-1-6-18)8-11-5-7-19-16(20)15(11)14(13)9-12/h3-5,7-9H,1-2H2,(H,19,20)