diethyl (4S)-2,6-dimethyl-4-(5-nitrofuran-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-2,6-dimethyl-4-(5-nitrofuran-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-2,6-dimethyl-4-(5-nitro-2-furyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(5-nitro-2-furanyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-2,6-dimethyl-4-(5-nitrofuran-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(5-nitro-2-furyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C17H20N2O7 MolecularWeight: 364.3499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)C)C(=O)OCC)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O7/c1-5-24-16(20)13-9(3)18-10(4)14(17(21)25-6-2)15(13)11-7-8-12(26-11)19(22)23/h7-8,13,15H,5-6H2,1-4H3/t13?,15-/m0/s1