diethyl 2-(acetyloxymethylsulfonylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(acetyloxymethylsulfonylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(acetoxymethylsulfonylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(acetyloxymethylsulfonylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(acetyloxymethylsulfonylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(acetoxymethylsulfonylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26N2O10S MolecularWeight: 510.51424

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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)OCC)CS(=O)(=O)COC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O10S/c1-5-32-21(26)18-13(3)23-17(11-35(30,31)12-34-14(4)25)20(22(27)33-6-2)19(18)15-8-7-9-16(10-15)24(28)29/h7-10,19,23H,5-6,11-12H2,1-4H3