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

Systemtic Name: dimethyl 2,6-dimethyl-4-[5-nitro-3-(phenylmethyl)imidazol-4-yl]pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-benzyl-5-nitro-imidazol-4-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[5-nitro-3-(phenylmethyl)-4-imidazolyl]pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-benzyl-5-nitroimidazol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(3-benzyl-5-nitro-imidazol-4-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=C(N=CN2CC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=C(N=CN2CC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H20N4O6/c1-12-15(20(26)30-3)17(16(13(2)23-12)21(27)31-4)18-19(25(28)29)22-11-24(18)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3