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

Systemtic Name: 2-ethoxy-4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenolate Openeye Name: 2-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenolate CAS Name: 2-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate IUPAC Name: 2-ethoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenolate Traditional Name: 4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-ethoxy-phenolate Formula: C14H12N3O6- MolecularWeight: 318.26158

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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-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6/c1-2-23-11-7-8(4-6-10(11)18)3-5-9-12(17(21)22)13(19)16-14(20)15-9/h3-7,18H,2H2,1H3,(H2,15,16,19,20)/p-1/b5-3+