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

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-iodanyl-phenoxy]ethanenitrile Openeye Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodo-phenoxy]acetonitrile CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodophenoxy]acetonitrile IUPAC Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodophenoxy]acetonitrile Traditional Name: 2-[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-iodo-phenoxy]acetonitrile Formula: C17H11IN4O3 MolecularWeight: 446.19871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11IN4O3/c18-13-9-11(5-6-15(13)25-8-7-19)10-20-22-16(23)12-3-1-2-4-14(12)21-17(22)24/h1-6,9-10H,8H2,(H,21,24)