2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-bromanyl-6-ethoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-bromanyl-6-ethoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-ethoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-ethoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-ethoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-ethoxy-phenoxy]acetonitrile Formula: C19H15BrN4O4 MolecularWeight: 443.2508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)OCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)OCC#N

InChI

InChI=1S/C19H15BrN4O4/c1-2-27-16-10-12(9-14(20)17(16)28-8-7-21)11-22-24-18(25)13-5-3-4-6-15(13)23-19(24)26/h3-6,9-11H,2,8H2,1H3,(H,23,26)