2-chloranyl-4-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzoic acid Formula: C17H10ClN3O7 MolecularWeight: 403.7302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN3O7/c18-11-7-8(1-4-10(11)17(24)25)12-5-2-9(28-12)3-6-13-19-15(22)14(21(26)27)16(23)20-13/h1-7H,(H,24,25)(H2,19,20,22,23)/b6-3+