O5-ethyl O3-methyl 2-methyl-6-(3-methylsulfonyloxy-3-phenyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-methyl-6-(3-methylsulfonyloxy-3-phenyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-methyl-6-(3-methylsulfonyloxy-3-phenyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-(3-methylsulfonyloxy-3-phenylpropyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-methyl-6-(3-methylsulfonyloxy-3-phenylpropyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-(3-methylsulfonyloxy-3-phenyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C27H30N2O9S MolecularWeight: 558.6001

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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)OC)C)CCC(C3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CCC(C3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C27H30N2O9S/c1-5-37-27(31)25-21(14-15-22(38-39(4,34)35)18-10-7-6-8-11-18)28-17(2)23(26(30)36-3)24(25)19-12-9-13-20(16-19)29(32)33/h6-13,16,22,24,28H,5,14-15H2,1-4H3