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

Systemtic Name: O5-(2-nitrooxyethyl) O3-(3-phenylpropyl) 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-nitrooxyethyl) 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-(2-nitrooxyethyl) ester O3-(3-phenylpropyl) ester IUPAC Name: 5-O-(2-nitrooxyethyl) 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-(2-nitrooxyethyl) ester O3-(3-phenylpropyl) ester Formula: C24H27N5O9 MolecularWeight: 529.49928

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H27N5O9/c1-15-18(23(30)36-11-7-10-17-8-5-4-6-9-17)20(21-22(28(32)33)25-14-27(21)3)19(16(2)26-15)24(31)37-12-13-38-29(34)35/h4-6,8-9,14,20,26H,7,10-13H2,1-3H3