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

Systemtic Name: ditert-butyl 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(1-methyl-5-nitro-2-imidazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C21H30N4O6 MolecularWeight: 434.4861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O6/c1-11-14(18(26)30-20(3,4)5)16(17-22-10-13(24(17)9)25(28)29)15(12(2)23-11)19(27)31-21(6,7)8/h10,16,23H,1-9H3