methyl 4-[5-[2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzoate CAS Name: 4-[5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzoic acid methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C18H13N3O7/c1-27-18(24)11-4-2-10(3-5-11)13-8-6-12(28-13)7-9-14-19-16(22)15(21(25)26)17(23)20-14/h2-9H,1H3,(H2,19,20,22,23)