4-(4-bromanylbutoxy)-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-(4-bromanylbutoxy)-3-methoxy-benzenecarbonitrile Openeye Name: 4-(4-bromobutoxy)-3-methoxy-benzonitrile CAS Name: 4-(4-bromobutoxy)-3-methoxybenzonitrile IUPAC Name: 4-(4-bromobutoxy)-3-methoxybenzonitrile Traditional Name: 4-(4-bromobutoxy)-3-methoxy-benzonitrile Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCCBr

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCCBr

InChI

InChI=1S/C12H14BrNO2/c1-15-12-8-10(9-14)4-5-11(12)16-7-3-2-6-13/h4-5,8H,2-3,6-7H2,1H3