O5-ethyl O3-methyl 2,6-dimethyl-4-[2-(4-nitrooxybutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2,6-dimethyl-4-[2-(4-nitrooxybutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2,6-dimethyl-4-[2-(4-nitrooxybutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[2-(4-nitrooxybutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-[2-(4-nitrooxybutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[2-(4-nitrooxybutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C22H28N2O8 MolecularWeight: 448.46632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCCCO[N+](=O)[O-])C(=O)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCCCO[N+](=O)[O-])C(=O)OC)C)C

InChI

InChI=1S/C22H28N2O8/c1-5-30-22(26)19-15(3)23-14(2)18(21(25)29-4)20(19)16-10-6-7-11-17(16)31-12-8-9-13-32-24(27)28/h6-7,10-11,20,23H,5,8-9,12-13H2,1-4H3