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

Systemtic Name: O5-dodecyl O3-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-dodecyl O3-ethyl 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-dodecyl ester O3-ethyl ester IUPAC Name: 5-O-dodecyl 3-O-ethyl 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-ethyl ester O5-lauryl ester Formula: C29H42N2O6 MolecularWeight: 514.65358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O6/c1-5-7-8-9-10-11-12-13-14-15-19-37-29(33)26-22(4)30-21(3)25(28(32)36-6-2)27(26)23-17-16-18-24(20-23)31(34)35/h16-18,20,27,30H,5-15,19H2,1-4H3