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

Systemtic Name: O3-methyl O5-(4-nitrooxybutyl) 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl 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-methyl ester O5-(4-nitrooxybutyl) ester IUPAC Name: 3-O-methyl 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-methyl ester O5-(4-nitrooxybutyl) ester Formula: C18H23N5O9 MolecularWeight: 453.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCCO[N+](=O)[O-])C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCCO[N+](=O)[O-])C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H23N5O9/c1-10-13(17(24)30-4)15(16-19-9-12(21(16)3)22(26)27)14(11(2)20-10)18(25)31-7-5-6-8-32-23(28)29/h9,15,20H,5-8H2,1-4H3