4-bromanyl-N-methyl-aniline; ethanenitrile

Systemtic Name: 4-bromanyl-N-methyl-aniline; ethanenitrile Openeye Name: acetonitrile; 4-bromo-N-methyl-aniline CAS Name: acetonitrile; 4-bromo-N-methylaniline IUPAC Name: acetonitrile; 4-bromo-N-methylaniline Traditional Name: acetonitrile; (4-bromophenyl)-methyl-amine Formula: C9H11BrN2 MolecularWeight: 227.10104

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CNC1=CC=C(C=C1)Br

Isomeric SMILES

CC#N.CNC1=CC=C(C=C1)Br

InChI

InChI=1S/C7H8BrN.C2H3N/c1-9-7-4-2-6(8)3-5-7;1-2-3/h2-5,9H,1H3;1H3