O5-(2-cyanoethyl) O3-ethyl 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(2-cyanoethyl) O3-ethyl 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-cyanoethyl) O3-ethyl 2-(acetoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-ethyl ester IUPAC Name: 5-O-(2-cyanoethyl) 3-O-ethyl 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(acetoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-ethyl ester Formula: C22H23N3O8 MolecularWeight: 457.43332

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)OCCC#N)C)COC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC#N)C)COC(=O)C

InChI

InChI=1S/C22H23N3O8/c1-4-31-22(28)20-17(12-33-14(3)26)24-13(2)18(21(27)32-10-6-9-23)19(20)15-7-5-8-16(11-15)25(29)30/h5,7-8,11,19,24H,4,6,10,12H2,1-3H3