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

Systemtic Name: O3-methyl O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-methyl-5-nitro-4-imidazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-nitrooxyethyl) ester IUPAC Name: 3-O-methyl 5-O-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-nitrooxyethyl) ester Formula: C16H19N5O9 MolecularWeight: 425.35016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCO[N+](=O)[O-])C2=C(N=CN2C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCO[N+](=O)[O-])C2=C(N=CN2C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H19N5O9/c1-8-10(15(22)28-4)12(13-14(20(24)25)17-7-19(13)3)11(9(2)18-8)16(23)29-5-6-30-21(26)27/h7,12,18H,5-6H2,1-4H3