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

Systemtic Name: O3-(3-methylbutyl) O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-isopentyl O5-(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 O3-(3-methylbutyl) ester O5-(2-nitrooxyethyl) ester IUPAC Name: 3-O-(3-methylbutyl) 5-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 O3-isoamyl ester O5-(2-nitrooxyethyl) 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)OCCO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC(C)C

InChI

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