O5-(2-chloroethyl) O3-pentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(2-chloroethyl) O3-pentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-chloroethyl) O3-pentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-chloroethyl) ester O3-pentyl ester IUPAC Name: 5-O-(2-chloroethyl) 3-O-pentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-amyl ester O5-(2-chloroethyl) ester Formula: C22H27ClN2O6 MolecularWeight: 450.91258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCl)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCl)C)C

InChI

InChI=1S/C22H27ClN2O6/c1-4-5-6-11-30-21(26)18-14(2)24-15(3)19(22(27)31-12-10-23)20(18)16-8-7-9-17(13-16)25(28)29/h7-9,13,20,24H,4-6,10-12H2,1-3H3