O3-ethyl O5-(4-nitrooxybutyl) 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(4-nitrooxybutyl) 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(4-nitrooxybutyl) 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(1-methyl-5-nitro-2-imidazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(4-nitrooxybutyl) ester IUPAC Name: 3-O-ethyl 5-O-(4-nitrooxybutyl) 2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(4-nitrooxybutyl) ester Formula: C19H25N5O9 MolecularWeight: 467.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCCCO[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCCCO[N+](=O)[O-])C)C

InChI

InChI=1S/C19H25N5O9/c1-5-31-18(25)14-11(2)21-12(3)15(19(26)32-8-6-7-9-33-24(29)30)16(14)17-20-10-13(22(17)4)23(27)28/h10,16,21H,5-9H2,1-4H3