O3-ethyl O5-(6-nitrooxyhexyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(6-nitrooxyhexyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(6-nitrooxyhexyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(6-nitrooxyhexyl) ester IUPAC Name: 3-O-ethyl 5-O-(6-nitrooxyhexyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(6-nitrooxyhexyl) ester Formula: C22H28N4O9 MolecularWeight: 492.47912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCCCCO[N+](=O)[O-])C)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCCCCO[N+](=O)[O-])C)N

InChI

InChI=1S/C22H28N4O9/c1-3-33-22(28)19-18(15-9-8-10-16(13-15)25(29)30)17(14(2)24-20(19)23)21(27)34-11-6-4-5-7-12-35-26(31)32/h8-10,13,18,24H,3-7,11-12,23H2,1-2H3