(E)-3-azanyl-2-[2-(6-bromanylquinazolin-4-yl)oxyethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(6-bromanylquinazolin-4-yl)oxyethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(6-bromoquinazolin-4-yl)oxyacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(6-bromo-4-quinazolinyl)oxy]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(6-bromoquinazolin-4-yl)oxyacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(6-bromoquinazolin-4-yl)oxyacetyl]but-2-enenitrile Formula: C14H11BrN4O2 MolecularWeight: 347.16674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC1=NC=NC2=C1C=C(C=C2)Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC1=NC=NC2=C1C=C(C=C2)Br)/N

InChI

InChI=1S/C14H11BrN4O2/c1-8(17)11(5-16)13(20)6-21-14-10-4-9(15)2-3-12(10)18-7-19-14/h2-4,7H,6,17H2,1H3/b11-8+