2-bromanyl-6-ethoxy-4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenolate

Systemtic Name: 2-bromanyl-6-ethoxy-4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenolate Openeye Name: 2-bromo-6-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenolate CAS Name: 2-bromo-6-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate IUPAC Name: 2-bromo-6-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate Traditional Name: 2-bromo-4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-6-ethoxy-phenolate Formula: C14H11BrN3O6- MolecularWeight: 397.15764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)[O-]

InChI

InChI=1S/C14H12BrN3O6/c1-2-24-10-6-7(5-8(15)12(10)19)3-4-9-11(18(22)23)13(20)17-14(21)16-9/h3-6,19H,2H2,1H3,(H2,16,17,20,21)/p-1/b4-3+