2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-5-bromanyl-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-5-bromanyl-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[5-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[5-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[5-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[5-bromo-4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H13BrN4O4 MolecularWeight: 429.22422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)OCC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)OCC#N

InChI

InChI=1S/C18H13BrN4O4/c1-26-15-8-11(13(19)9-16(15)27-7-6-20)10-21-23-17(24)12-4-2-3-5-14(12)22-18(23)25/h2-5,8-10H,7H2,1H3,(H,22,25)