ethyl 3-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate

Systemtic Name: ethyl 3-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate Openeye Name: ethyl 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzoic acid ethyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C19H15N3O7/c1-2-28-19(25)12-5-3-4-11(10-12)14-8-6-13(29-14)7-9-15-20-17(23)16(22(26)27)18(24)21-15/h3-10H,2H2,1H3,(H2,20,21,23,24)/b9-7+