O5-(2-methylpropyl) O3-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(2-methylpropyl) O3-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isobutyl O3-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-methylpropyl) ester O3-(3-nitrooxypropyl) ester IUPAC Name: 5-O-(2-methylpropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-isobutyl ester O3-(3-nitrooxypropyl) ester Formula: C22H27N3O9 MolecularWeight: 477.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O9/c1-13(2)12-33-22(27)19-15(4)23-14(3)18(21(26)32-9-6-10-34-25(30)31)20(19)16-7-5-8-17(11-16)24(28)29/h5,7-8,11,13,20,23H,6,9-10,12H2,1-4H3