5-(fluoranylmethoxycarbonyl)-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(fluoranylmethoxycarbonyl)-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(fluoromethoxycarbonyl)-4-(5-nitro-2-thienyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[fluoromethoxy(oxo)methyl]-4-(5-nitro-2-thiophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(fluoromethoxycarbonyl)-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(fluoromethoxycarbonyl)-4-(5-nitro-2-thienyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C12H9FN2O6S MolecularWeight: 328.273063

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)[N+](=O)[O-])C2C(=CNC=C2C(=O)OCF)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)[N+](=O)[O-])C2C(=CNC=C2C(=O)OCF)C(=O)O

InChI

InChI=1S/C12H9FN2O6S/c13-5-21-12(18)7-4-14-3-6(11(16)17)10(7)8-1-2-9(22-8)15(19)20/h1-4,10,14H,5H2,(H,16,17)