2-[4-bromanyl-2-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-bromanyl-2-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]ethanenitrile Openeye Name: 2-[4-bromo-2-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenoxy]acetonitrile CAS Name: 2-[4-bromo-2-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetonitrile IUPAC Name: 2-[4-bromo-2-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetonitrile Traditional Name: 2-[4-bromo-2-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenoxy]acetonitrile Formula: C14H9BrN4O5 MolecularWeight: 393.14906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC#N

Isomeric SMILES

C1=CC(=C(C=C1Br)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C14H9BrN4O5/c15-9-2-4-11(24-6-5-16)8(7-9)1-3-10-12(19(22)23)13(20)18-14(21)17-10/h1-4,7H,6H2,(H2,17,18,20,21)