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

Systemtic Name: O5-(3-methylbutyl) O3-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopentyl 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-(3-methylbutyl) ester O3-(3-nitrooxypropyl) ester IUPAC Name: 5-O-(3-methylbutyl) 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-isoamyl ester O3-(3-nitrooxypropyl) ester Formula: C23H29N3O9 MolecularWeight: 491.49106

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H29N3O9/c1-14(2)9-12-34-23(28)20-16(4)24-15(3)19(22(27)33-10-6-11-35-26(31)32)21(20)17-7-5-8-18(13-17)25(29)30/h5,7-8,13-14,21,24H,6,9-12H2,1-4H3