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

Systemtic Name: 4-[[2-bromanyl-6-methoxy-4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-bromo-6-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenoxy]methyl]benzonitrile CAS Name: 4-[[2-bromo-6-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[2-bromo-6-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]methyl]benzonitrile Traditional Name: 4-[[2-bromo-4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-6-methoxy-phenoxy]methyl]benzonitrile Formula: C21H15BrN4O6 MolecularWeight: 499.271

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15BrN4O6/c1-31-17-9-14(6-7-16-18(26(29)30)20(27)25-21(28)24-16)8-15(22)19(17)32-11-13-4-2-12(10-23)3-5-13/h2-9H,11H2,1H3,(H2,24,25,27,28)/b7-6+