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

Systemtic Name: O5-(2-nitrooxyethyl) O3-phenethyl 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-nitrooxyethyl) O3-phenethyl 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-phenethyl ester IUPAC Name: 5-O-(2-nitrooxyethyl) 3-O-phenethyl 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-phenethyl 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)OCCO[N+](=O)[O-])C2=C(N=CN2C)[N+](=O)[O-])C(=O)OCCC3=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)OCCC3=CC=CC=C3

InChI

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