2-[5-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[5-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-fluoro-3-nitroanilino)-oxomethyl]-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[5-[(4-fluoro-3-nitrophenyl)carbamoyl]pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-pyridyl]thio]acetic acid Formula: C14H10FN3O5S MolecularWeight: 351.309703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=CN=C(C=C2)SCC(=O)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=CN=C(C=C2)SCC(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C14H10FN3O5S/c15-10-3-2-9(5-11(10)18(22)23)17-14(21)8-1-4-12(16-6-8)24-7-13(19)20/h1-6H,7H2,(H,17,21)(H,19,20)