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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6/c1-13-17(20(26)30-12-8-11-23)19(15-9-6-7-10-16(15)25(28)29)18(14(2)24-13)21(27)31-22(3,4)5/h6-7,9-10,19,24H,8,12H2,1-5H3