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5-ethyl-2-[(4-fluoranyl-2-nitro-phenyl)amino]thiophene-3-carboxylic acid

5-ethyl-2-[(4-fluoranyl-2-nitro-phenyl)amino]thiophene-3-carboxylic acid

Systemtic Name:5-ethyl-2-[(4-fluoranyl-2-nitro-phenyl)amino]thiophene-3-carboxylic acid
Openeye Name:5-ethyl-2-(4-fluoro-2-nitro-anilino)thiophene-3-carboxylic acid
CAS Name:5-ethyl-2-(4-fluoro-2-nitroanilino)-3-thiophenecarboxylic acid
IUPAC Name:5-ethyl-2-(4-fluoro-2-nitroanilino)thiophene-3-carboxylic acid
Traditional Name:5-ethyl-2-(4-fluoro-2-nitro-anilino)-3-thenoic acid
Formula: C13H11FN2O4S
MolecularWeight: 310.300843
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)O


Isomeric SMILES

CCC1=CC(=C(S1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C13H11FN2O4S/c1-2-8-6-9(13(17)18)12(21-8)15-10-4-3-7(14)5-11(10)16(19)20/h3-6,15H,2H2,1H3,(H,17,18)


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