(3-nitrophenyl) 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]nicotinic acid (3-nitrophenyl) ester Formula: C20H13BrFN3O5S MolecularWeight: 506.301723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=C(N=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=C(N=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13BrFN3O5S/c21-12-6-7-17(16(22)9-12)24-18(26)11-31-19-15(5-2-8-23-19)20(27)30-14-4-1-3-13(10-14)25(28)29/h1-10H,11H2,(H,24,26)