2-chloranyl-5-[5-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoate

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoate Openeye Name: 2-chloro-5-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)vinyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]-2-furanyl]benzoate IUPAC Name: 2-chloro-5-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-2-(4-keto-5-nitro-2-oxido-1H-pyrimidin-6-yl)vinyl]-2-furyl]benzoate Formula: C17H8ClN3O7-2 MolecularWeight: 401.71432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C17H10ClN3O7/c18-11-4-1-8(7-10(11)16(23)24)13-6-3-9(28-13)2-5-12-14(21(26)27)15(22)20-17(25)19-12/h1-7H,(H,23,24)(H2,19,20,22,25)/p-2/b5-2+