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

Systemtic Name: O3-(3-nitrooxypropyl) O5-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-(3-nitrooxypropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(3-nitrooxypropyl) ester O5-propan-2-yl ester IUPAC Name: 3-O-(3-nitrooxypropyl) 5-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-isopropyl ester O3-(3-nitrooxypropyl) 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)OC(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)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]

InChI

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