O5-(3-nitrooxypropyl) O3-(3-phenylpropyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(3-nitrooxypropyl) O3-(3-phenylpropyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(3-nitrooxypropyl) O3-(3-phenylpropyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-methyl-5-nitro-4-imidazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(3-nitrooxypropyl) ester O3-(3-phenylpropyl) ester IUPAC Name: 5-O-(3-nitrooxypropyl) 3-O-(3-phenylpropyl) 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(3-nitrooxypropyl) ester O3-(3-phenylpropyl) ester Formula: C25H29N5O9 MolecularWeight: 543.52586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCO[N+](=O)[O-])C2=C(N=CN2C)[N+](=O)[O-])C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCO[N+](=O)[O-])C2=C(N=CN2C)[N+](=O)[O-])C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H29N5O9/c1-16-19(24(31)37-12-7-11-18-9-5-4-6-10-18)21(22-23(29(33)34)26-15-28(22)3)20(17(2)27-16)25(32)38-13-8-14-39-30(35)36/h4-6,9-10,15,21,27H,7-8,11-14H2,1-3H3