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

Systemtic Name: O5-(2-methylpropyl) O3-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isobutyl O3-(2-nitrooxyethyl) 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-(2-nitrooxyethyl) ester IUPAC Name: 5-O-(2-methylpropyl) 3-O-(2-nitrooxyethyl) 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-(2-nitrooxyethyl) ester Formula: C21H25N3O9 MolecularWeight: 463.4379

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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)OCCO[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)OCCO[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O9/c1-12(2)11-32-21(26)18-14(4)22-13(3)17(20(25)31-8-9-33-24(29)30)19(18)15-6-5-7-16(10-15)23(27)28/h5-7,10,12,19,22H,8-9,11H2,1-4H3