[1-(2-fluoranyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl thiocyanate

Systemtic Name: [1-(2-fluoranyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl thiocyanate Openeye Name: [1-(2-fluoro-5-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]methyl thiocyanate CAS Name: thiocyanic acid [1-(2-fluoro-5-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]methyl ester IUPAC Name: [1-(2-fluoro-5-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]methyl thiocyanate Traditional Name: thiocyanic acid [1-(2-fluoro-5-nitro-phenyl)-2,5-diketo-pyrrolidin-3-yl]methyl ester Formula: C12H8FN3O4S MolecularWeight: 309.273023

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)CSC#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)CSC#N

InChI

InChI=1S/C12H8FN3O4S/c13-9-2-1-8(16(19)20)4-10(9)15-11(17)3-7(12(15)18)5-21-6-14/h1-2,4,7H,3,5H2