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

Systemtic Name: O3-ethyl O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(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-ethyl ester O5-(2-nitrooxyethyl) ester IUPAC Name: 3-O-ethyl 5-O-(2-nitrooxyethyl) 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-ethyl ester O5-(2-nitrooxyethyl) ester Formula: C17H21N5O9 MolecularWeight: 439.37674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C)C

InChI

InChI=1S/C17H21N5O9/c1-5-29-16(23)12-9(2)19-10(3)13(17(24)30-6-7-31-22(27)28)14(12)15-18-8-11(20(15)4)21(25)26/h8,14,19H,5-7H2,1-4H3