dimethyl 2,6-dimethyl-4-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,6-dimethyl-4-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H22N4O6/c1-12-16(21(27)31-4)18(17(13(2)23-12)22(28)32-5)19-20(26(29)30)24-14(3)25(19)11-15-9-7-6-8-10-15/h6-10H,11H2,1-5H3