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

Systemtic Name: O5-(2-nitrooxyethyl) O3-octyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-nitrooxyethyl) O3-octyl 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 O5-(2-nitrooxyethyl) ester O3-octyl ester IUPAC Name: 5-O-(2-nitrooxyethyl) 3-O-octyl 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 O5-(2-nitrooxyethyl) ester O3-octyl ester Formula: C25H33N3O9 MolecularWeight: 519.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C)C

InChI

InChI=1S/C25H33N3O9/c1-4-5-6-7-8-9-13-35-24(29)21-17(2)26-18(3)22(25(30)36-14-15-37-28(33)34)23(21)19-11-10-12-20(16-19)27(31)32/h10-12,16,23,26H,4-9,13-15H2,1-3H3