4-[[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-3-nitro-benzoic acid Openeye Name: 4-[(5-fluoro-2,4-dioxo-pyrimidin-1-yl)methyl]-3-nitro-benzoic acid CAS Name: 4-[(5-fluoro-2,4-dioxo-1-pyrimidinyl)methyl]-3-nitrobenzoic acid IUPAC Name: 4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-nitrobenzoic acid Traditional Name: 4-[(5-fluoro-2,4-diketo-pyrimidin-1-yl)methyl]-3-nitro-benzoic acid Formula: C12H8FN3O6 MolecularWeight: 309.206823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CN2C=C(C(=O)NC2=O)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CN2C=C(C(=O)NC2=O)F

InChI

InChI=1S/C12H8FN3O6/c13-8-5-15(12(20)14-10(8)17)4-7-2-1-6(11(18)19)3-9(7)16(21)22/h1-3,5H,4H2,(H,18,19)(H,14,17,20)