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

Systemtic Name: O3-(4-nitrooxybutyl) O5-propan-2-yl 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-(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-(4-nitrooxybutyl) ester O5-propan-2-yl ester IUPAC Name: 3-O-(4-nitrooxybutyl) 5-O-propan-2-yl 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 O5-isopropyl ester O3-(4-nitrooxybutyl) ester Formula: C20H27N5O9 MolecularWeight: 481.45648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O9/c1-11(2)34-20(27)16-13(4)22-12(3)15(19(26)32-8-6-7-9-33-25(30)31)17(16)18-21-10-14(23(18)5)24(28)29/h10-11,17,22H,6-9H2,1-5H3