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

Systemtic Name: O5-(2-cyanoethyl) O3-ethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-cyanoethyl) O3-ethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-ethyl ester IUPAC Name: 5-O-(2-cyanoethyl) 3-O-ethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-cyanoethyl) ester O3-ethyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-4-28-19(24)16-12(2)22-13(3)17(20(25)29-11-7-10-21)18(16)14-8-5-6-9-15(14)23(26)27/h5-6,8-9,18,22H,4,7,11H2,1-3H3