4-bromanyl-2-methoxy-1-propan-2-yloxy-benzene; ethanenitrile

Systemtic Name: 4-bromanyl-2-methoxy-1-propan-2-yloxy-benzene; ethanenitrile Openeye Name: acetonitrile; 4-bromo-1-isopropoxy-2-methoxy-benzene CAS Name: acetonitrile; 4-bromo-2-methoxy-1-propan-2-yloxybenzene IUPAC Name: acetonitrile; 4-bromo-2-methoxy-1-propan-2-yloxybenzene Traditional Name: acetonitrile; 4-bromo-1-isopropoxy-2-methoxy-benzene Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC(C)OC1=C(C=C(C=C1)Br)OC

Isomeric SMILES

CC#N.CC(C)OC1=C(C=C(C=C1)Br)OC

InChI

InChI=1S/C10H13BrO2.C2H3N/c1-7(2)13-9-5-4-8(11)6-10(9)12-3;1-2-3/h4-7H,1-3H3;1H3