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

Systemtic Name: O3-methyl O5-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-methylimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-(3-nitrooxypropyl) 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-methyl ester O5-(3-nitrooxypropyl) ester IUPAC Name: 3-O-methyl 5-O-(3-nitrooxypropyl) 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-methyl ester O5-(3-nitrooxypropyl) ester Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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