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

Systemtic Name: O3-ethyl O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-methylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-methylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-methyl-4-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-(3-methylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-methylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(2-nitrooxyethyl) ester Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CN2C)C(=O)OCCO[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CN2C)C(=O)OCCO[N+](=O)[O-])C)C

InChI

InChI=1S/C17H22N4O7/c1-5-26-16(22)13-10(2)19-11(3)14(15(13)12-8-18-9-20(12)4)17(23)27-6-7-28-21(24)25/h8-9,15,19H,5-7H2,1-4H3