5-(diisocyanomethylidene)-3-[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]pyrrol-2-one

Systemtic Name: 5-(diisocyanomethylidene)-3-[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]pyrrol-2-one Openeye Name: 5-(diisocyanomethylene)-3-[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]pyrrol-2-one CAS Name: 5-(diisocyanomethylidene)-3-[4-[ethyl(ethynyl)amino]-2-methylphenyl]-2-pyrrolone IUPAC Name: 5-(diisocyanomethylidene)-3-[4-[ethyl(ethynyl)amino]-2-methylphenyl]pyrrol-2-one Traditional Name: 5-(diisocyanomethylene)-3-[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]-3-pyrrolin-2-one Formula: C18H14N4O MolecularWeight: 302.32996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C#C)C1=CC(=C(C=C1)C2=CC(=C([N+]#[C-])[N+]#[C-])NC2=O)C

Isomeric SMILES

CCN(C#C)C1=CC(=C(C=C1)C2=CC(=C([N+]#[C-])[N+]#[C-])NC2=O)C

InChI

InChI=1S/C18H14N4O/c1-6-22(7-2)13-8-9-14(12(3)10-13)15-11-16(21-18(15)23)17(19-4)20-5/h1,8-11H,7H2,2-3H3,(H,21,23)