diethyl 2,6-bis(azanyl)-4-(2-fluoranyl-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-bis(azanyl)-4-(2-fluoranyl-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-diamino-4-(2-fluoro-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-diamino-4-(2-fluoro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-diamino-4-(2-fluoro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-diamino-4-(2-fluoro-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C17H19FN4O6 MolecularWeight: 394.354363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O6/c1-3-27-16(23)12-11(9-7-8(22(25)26)5-6-10(9)18)13(17(24)28-4-2)15(20)21-14(12)19/h5-7,11,21H,3-4,19-20H2,1-2H3