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

Systemtic Name: O5-(2-chloroethyl) O3-octyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-chloroethyl) O3-octyl 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-octyl ester IUPAC Name: 5-O-(2-chloroethyl) 3-O-octyl 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 O5-(2-chloroethyl) ester O3-octyl ester Formula: C25H33ClN2O6 MolecularWeight: 492.99232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN2O6/c1-4-5-6-7-8-9-14-33-24(29)21-17(2)27-18(3)22(25(30)34-15-13-26)23(21)19-11-10-12-20(16-19)28(31)32/h10-12,16,23,27H,4-9,13-15H2,1-3H3