O3-ethyl O5-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[(E)-cinnamyl] 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 O3-ethyl ester O5-[(E)-3-phenylprop-2-enyl] ester IUPAC Name: 3-O-ethyl 5-O-[(E)-3-phenylprop-2-enyl] 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-[(E)-cinnamyl] ester O3-ethyl ester Formula: C26H26N2O6 MolecularWeight: 462.49444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC=CC3=CC=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(2)27-18(3)23(24(22)20-13-8-14-21(16-20)28(31)32)26(30)34-15-9-12-19-10-6-5-7-11-19/h5-14,16,24,27H,4,15H2,1-3H3/b12-9+