1-[(5-fluoranyl-2-nitro-phenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid Openeye Name: 1-[(5-fluoro-2-nitro-phenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid CAS Name: 1-[(5-fluoro-2-nitrophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid IUPAC Name: 1-[(5-fluoro-2-nitrophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid Traditional Name: 1-(5-fluoro-2-nitro-benzyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid Formula: C12H10FN3O5 MolecularWeight: 295.223303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)O)CC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)O)CC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H10FN3O5/c13-8-1-3-10(16(20)21)7(5-8)6-15-11(17)4-2-9(14-15)12(18)19/h1,3,5H,2,4,6H2,(H,18,19)