4-(5-chloranylpentoxy)-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-(5-chloranylpentoxy)-3-methoxy-benzenecarbonitrile Openeye Name: 4-(5-chloropentoxy)-3-methoxy-benzonitrile CAS Name: 4-(5-chloropentoxy)-3-methoxybenzonitrile IUPAC Name: 4-(5-chloropentoxy)-3-methoxybenzonitrile Traditional Name: 4-(5-chloropentoxy)-3-methoxy-benzonitrile Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2/c1-16-13-9-11(10-15)5-6-12(13)17-8-4-2-3-7-14/h5-6,9H,2-4,7-8H2,1H3