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

Systemtic Name: O3-(2-nitrooxyethyl) O5-propan-2-yl 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-(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-(2-nitrooxyethyl) ester O5-propan-2-yl ester IUPAC Name: 3-O-(2-nitrooxyethyl) 5-O-propan-2-yl 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 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=C(N=CN2C)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

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