dibutyl 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dibutyl 2,6-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibutyl 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 dibutyl ester IUPAC Name: dibutyl 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 dibutyl ester Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=C(C1C2=C(N=CN2C)[N+](=O)[O-])C(=O)OCCCC)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=C(C1C2=C(N=CN2C)[N+](=O)[O-])C(=O)OCCCC)C)C

InChI

InChI=1S/C21H30N4O6/c1-6-8-10-30-20(26)15-13(3)23-14(4)16(21(27)31-11-9-7-2)17(15)18-19(25(28)29)22-12-24(18)5/h12,17,23H,6-11H2,1-5H3