methyl 2-(5-azanyl-4-fluoranyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(5-azanyl-4-fluoranyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(5-amino-4-fluoro-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(5-amino-4-fluoro-2-nitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-amino-4-fluoro-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(5-amino-4-fluoro-2-nitro-phenyl)thio]acetic acid methyl ester Formula: C9H9FN2O4S MolecularWeight: 260.242163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C(=C1)N)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C(=C1)N)F)[N+](=O)[O-]

InChI

InChI=1S/C9H9FN2O4S/c1-16-9(13)4-17-8-3-6(11)5(10)2-7(8)12(14)15/h2-3H,4,11H2,1H3