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

Systemtic Name: 4-bromanyl-2-methyl-6-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenolate Openeye Name: 4-bromo-2-methyl-6-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenolate CAS Name: 4-bromo-2-methyl-6-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate IUPAC Name: 4-bromo-2-methyl-6-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate Traditional Name: 4-bromo-2-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-6-methyl-phenolate Formula: C13H9BrN3O5- MolecularWeight: 367.13166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10BrN3O5/c1-6-4-8(14)5-7(11(6)18)2-3-9-10(17(21)22)12(19)16-13(20)15-9/h2-5,18H,1H3,(H2,15,16,19,20)/p-1/b3-2+