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

Systemtic Name: O5-(2-nitrooxyethyl) O3-pentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-nitrooxyethyl) O3-pentyl 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-pentyl ester IUPAC Name: 5-O-(2-nitrooxyethyl) 3-O-pentyl 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-amyl ester O5-(2-nitrooxyethyl) ester Formula: C22H27N3O9 MolecularWeight: 477.46448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O9/c1-4-5-6-10-32-21(26)18-14(2)23-15(3)19(22(27)33-11-12-34-25(30)31)20(18)16-8-7-9-17(13-16)24(28)29/h7-9,13,20,23H,4-6,10-12H2,1-3H3