ethanenitrile; N-ethyl-2-methyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: ethanenitrile; N-ethyl-2-methyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: acetonitrile; N-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxamide CAS Name: acetonitrile; N-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: acetonitrile; N-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxamide Traditional Name: acetonitrile; N-ethyl-4-keto-2-methyl-1H-quinoline-3-carboxamide Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(NC2=CC=CC=C2C1=O)C.CC#N

Isomeric SMILES

CCNC(=O)C1=C(NC2=CC=CC=C2C1=O)C.CC#N

InChI

InChI=1S/C13H14N2O2.C2H3N/c1-3-14-13(17)11-8(2)15-10-7-5-4-6-9(10)12(11)16;1-2-3/h4-7H,3H2,1-2H3,(H,14,17)(H,15,16);1H3