5-ethoxycarbonyl-2-(fluoranylmethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-2-(fluoranylmethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-2-(fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-2-(fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-2-(fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-2-(fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H17FN2O6 MolecularWeight: 364.325083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)CF)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)CF)C

InChI

InChI=1S/C17H17FN2O6/c1-3-26-17(23)13-9(2)19-11(8-18)15(16(21)22)14(13)10-6-4-5-7-12(10)20(24)25/h4-7,14,19H,3,8H2,1-2H3,(H,21,22)