(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(5-methoxy-2-methyl-coumaran-6-yl)acrylonitrile Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C(=C2)OC)C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CC1CC2=C(O1)C=C(C(=C2)OC)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C21H16BrN3O3/c1-11-5-12-7-18(27-2)13(8-19(12)28-11)6-14(10-23)20-24-17-4-3-15(22)9-16(17)21(26)25-20/h3-4,6-9,11H,5H2,1-2H3,(H,24,25,26)/b14-6+