(2E)-3-oxidanylidene-2-[(quinoxalin-5-ylamino)methylidene]butanenitrile

Systemtic Name: (2E)-3-oxidanylidene-2-[(quinoxalin-5-ylamino)methylidene]butanenitrile Openeye Name: (2E)-3-oxo-2-[(quinoxalin-5-ylamino)methylene]butanenitrile CAS Name: (2E)-3-oxo-2-[(5-quinoxalinylamino)methylidene]butanenitrile IUPAC Name: (2E)-3-oxo-2-[(quinoxalin-5-ylamino)methylidene]butanenitrile Traditional Name: (E)-2-acetyl-3-(quinoxalin-5-ylamino)acrylonitrile Formula: C13H10N4O MolecularWeight: 238.2447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC1=CC=CC2=NC=CN=C21)C#N

Isomeric SMILES

CC(=O)/C(=C/NC1=CC=CC2=NC=CN=C21)/C#N

InChI

InChI=1S/C13H10N4O/c1-9(18)10(7-14)8-17-12-4-2-3-11-13(12)16-6-5-15-11/h2-6,8,17H,1H3/b10-8+