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

Systemtic Name: O3-(2-nitrooxyethyl) 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-(2-nitrooxyethyl) 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-(2-nitrooxyethyl) ester O5-propan-2-yl ester IUPAC Name: 3-O-(2-nitrooxyethyl) 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-(2-nitrooxyethyl) 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)OC(C)C)C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCO[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)OCCO[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O9/c1-9(2)32-18(25)14-11(4)20-10(3)13(17(24)30-6-7-31-23(28)29)15(14)16-19-8-12(21(16)5)22(26)27/h8-9,15,20H,6-7H2,1-5H3