2-[2-(4-bromanylheptan-4-yl)-4-oxidanylidene-chromen-8-yl]ethanenitrile

Systemtic Name: 2-[2-(4-bromanylheptan-4-yl)-4-oxidanylidene-chromen-8-yl]ethanenitrile Openeye Name: 2-[2-(1-bromo-1-propyl-butyl)-4-oxo-chromen-8-yl]acetonitrile CAS Name: 2-[2-(4-bromoheptan-4-yl)-4-oxo-1-benzopyran-8-yl]acetonitrile IUPAC Name: 2-[2-(4-bromoheptan-4-yl)-4-oxochromen-8-yl]acetonitrile Traditional Name: 2-[2-(1-bromo-1-propyl-butyl)-4-keto-chromen-8-yl]acetonitrile Formula: C18H20BrNO2 MolecularWeight: 362.2609

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C1=CC(=O)C2=C(O1)C(=CC=C2)CC#N)Br

Isomeric SMILES

CCCC(CCC)(C1=CC(=O)C2=C(O1)C(=CC=C2)CC#N)Br

InChI

InChI=1S/C18H20BrNO2/c1-3-9-18(19,10-4-2)16-12-15(21)14-7-5-6-13(8-11-20)17(14)22-16/h5-7,12H,3-4,8-10H2,1-2H3