2-[3-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]ethanenitrile Openeye Name: 2-[3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenoxy]acetonitrile CAS Name: 2-[3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetonitrile IUPAC Name: 2-[3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetonitrile Traditional Name: 2-[3-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenoxy]acetonitrile Formula: C14H10N4O5 MolecularWeight: 314.253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O5/c15-6-7-23-10-3-1-2-9(8-10)4-5-11-12(18(21)22)13(19)17-14(20)16-11/h1-5,8H,7H2,(H2,16,17,19,20)