4-chloranyl-7-(3-methylbutoxy)-2,3-dihydro-1H-isoindole; ethanenitrile

Systemtic Name: 4-chloranyl-7-(3-methylbutoxy)-2,3-dihydro-1H-isoindole; ethanenitrile Openeye Name: acetonitrile; 4-chloro-7-isopentyloxy-isoindoline CAS Name: acetonitrile; 4-chloro-7-(3-methylbutoxy)-2,3-dihydro-1H-isoindole IUPAC Name: acetonitrile; 4-chloro-7-(3-methylbutoxy)-2,3-dihydro-1H-isoindole Traditional Name: acetonitrile; 4-chloro-7-isoamoxy-isoindoline Formula: C15H21ClN2O MolecularWeight: 280.79304

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC(C)CCOC1=C2CNCC2=C(C=C1)Cl

Isomeric SMILES

CC#N.CC(C)CCOC1=C2CNCC2=C(C=C1)Cl

InChI

InChI=1S/C13H18ClNO.C2H3N/c1-9(2)5-6-16-13-4-3-12(14)10-7-15-8-11(10)13;1-2-3/h3-4,9,15H,5-8H2,1-2H3;1H3