(E)-3-azanyl-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4-oxoquinazolin-3-yl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-oxoquinazolin-3-yl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(4-ketoquinazolin-3-yl)acetyl]but-2-enenitrile Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CN1C=NC2=CC=CC=C2C1=O)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CN1C=NC2=CC=CC=C2C1=O)/N

InChI

InChI=1S/C14H12N4O2/c1-9(16)11(6-15)13(19)7-18-8-17-12-5-3-2-4-10(12)14(18)20/h2-5,8H,7,16H2,1H3/b11-9+