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

Systemtic Name: O3-(3-nitrooxypropyl) O5-(phenylmethyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(3-nitrooxypropyl) 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 O3-(3-nitrooxypropyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(3-nitrooxypropyl) 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-benzyl ester O3-(3-nitrooxypropyl) ester Formula: C23H25N5O9 MolecularWeight: 515.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=C(N=CN3C)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=C(N=CN3C)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O9/c1-14-17(22(29)35-10-7-11-37-28(33)34)19(20-21(27(31)32)24-13-26(20)3)18(15(2)25-14)23(30)36-12-16-8-5-4-6-9-16/h4-6,8-9,13,19,25H,7,10-12H2,1-3H3