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

Systemtic Name: O3-(3-acetyloxypropyl) O5-(2-cyanoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(3-acetoxypropyl) O5-(2-cyanoethyl) 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-(3-acetyloxypropyl) ester O5-(2-cyanoethyl) ester IUPAC Name: 3-O-(3-acetyloxypropyl) 5-O-(2-cyanoethyl) 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-(3-acetoxypropyl) ester O5-(2-cyanoethyl) ester Formula: C23H25N3O8 MolecularWeight: 471.4599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O8/c1-14-19(22(28)33-10-5-9-24)21(17-7-4-8-18(13-17)26(30)31)20(15(2)25-14)23(29)34-12-6-11-32-16(3)27/h4,7-8,13,21,25H,5-6,10-12H2,1-3H3