butane; ethanenitrile; methylbenzene; N-methylethanamide

Systemtic Name: butane; ethanenitrile; methylbenzene; N-methylethanamide Openeye Name: acetonitrile; butane; N-methylacetamide; toluene CAS Name: acetonitrile; butane; N-methylacetamide; toluene IUPAC Name: acetonitrile; butane; N-methylacetamide; toluene Traditional Name: acetonitrile; N-methylacetamide; n-butane; toluene Formula: C16H28N2O MolecularWeight: 264.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.CC#N.CC1=CC=CC=C1.CC(=O)NC

Isomeric SMILES

CCCC.CC#N.CC1=CC=CC=C1.CC(=O)NC

InChI

InChI=1S/C7H8.C4H10.C3H7NO.C2H3N/c1-7-5-3-2-4-6-7;1-3-4-2;1-3(5)4-2;1-2-3/h2-6H,1H3;3-4H2,1-2H3;1-2H3,(H,4,5);1H3