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

Systemtic Name: O3-ethyl O5-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(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 O3-ethyl ester O5-(3-nitrooxypropyl) ester IUPAC Name: 3-O-ethyl 5-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 O3-ethyl ester O5-(3-nitrooxypropyl) ester Formula: C20H23N3O9 MolecularWeight: 449.41132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-])C)C

InChI

InChI=1S/C20H23N3O9/c1-4-30-19(24)16-12(2)21-13(3)17(20(25)31-9-6-10-32-23(28)29)18(16)14-7-5-8-15(11-14)22(26)27/h5,7-8,11,18,21H,4,6,9-10H2,1-3H3