O3-hexyl O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate dihydrochloride

Systemtic Name: O3-hexyl O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate dihydrochloride Openeye Name: O3-hexyl O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate dihydrochloride CAS Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-hexyl ester O5-methyl ester dihydrochloride IUPAC Name: 3-O-hexyl 5-O-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate dihydrochloride Traditional Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-hexyl ester O5-methyl ester dihydrochloride Formula: C22H29Cl2N3O6 MolecularWeight: 502.38816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1(CC(=C(NC1C#N)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCCCCCOC(=O)C1(CC(=C(NC1C#N)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C22H27N3O6.2ClH/c1-4-5-6-7-12-31-21(27)22(16-8-10-17(11-9-16)25(28)29)13-18(20(26)30-3)15(2)24-19(22)14-23;;/h8-11,19,24H,4-7,12-13H2,1-3H3;2*1H