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

Systemtic Name: O3-(2-cyanoethyl) O5-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-cyanoethyl) O5-isobutyl 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-(2-cyanoethyl) ester O5-(2-methylpropyl) ester IUPAC Name: 3-O-(2-cyanoethyl) 5-O-(2-methylpropyl) 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-(2-cyanoethyl) ester O5-isobutyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC#N

InChI

InChI=1S/C22H25N3O6/c1-13(2)12-31-22(27)19-15(4)24-14(3)18(21(26)30-10-6-9-23)20(19)16-7-5-8-17(11-16)25(28)29/h5,7-8,11,13,20,24H,6,10,12H2,1-4H3