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

Systemtic Name: O5-methyl O3-(6-nitrooxyhexyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-methyl O3-(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 O5-methyl ester O3-(6-nitrooxyhexyl) ester IUPAC Name: 5-O-methyl 3-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 O5-methyl ester O3-(6-nitrooxyhexyl) ester Formula: C21H26N4O9 MolecularWeight: 478.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O9/c1-13-16(20(26)32-2)17(14-8-7-9-15(12-14)24(28)29)18(19(22)23-13)21(27)33-10-5-3-4-6-11-34-25(30)31/h7-9,12,17,23H,3-6,10-11,22H2,1-2H3