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

Systemtic Name: dimethyl 2,6-dimethyl-4-[5-nitroso-3-(phenylmethyl)imidazol-4-yl]pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-benzyl-5-nitroso-imidazol-4-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[5-nitroso-3-(phenylmethyl)-4-imidazolyl]pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-benzyl-5-nitrosoimidazol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(3-benzyl-5-nitroso-imidazol-4-yl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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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)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=C(N=CN2CC3=CC=CC=C3)N=O)C(=O)OC

InChI

InChI=1S/C21H20N4O5/c1-12-15(20(26)29-3)17(16(13(2)23-12)21(27)30-4)18-19(24-28)22-11-25(18)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3