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

Systemtic Name: 2-[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-bromanyl-phenoxy]ethanenitrile Openeye Name: 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile CAS Name: 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile Traditional Name: 2-[4-bromo-2-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetonitrile Formula: C17H11BrN4O3 MolecularWeight: 399.19824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=C(C=CC(=C3)Br)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=C(C=CC(=C3)Br)OCC#N

InChI

InChI=1S/C17H11BrN4O3/c18-12-5-6-15(25-8-7-19)11(9-12)10-20-22-16(23)13-3-1-2-4-14(13)21-17(22)24/h1-6,9-10H,8H2,(H,21,24)