dimethyl (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-6-piperidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: dimethyl (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-6-piperidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-6-(1-piperidyl)cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-1-imidazolyl)methyl]-6-(1-piperidinyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R)-4-methyl-2-[(2-methyl-5-nitroimidazol-1-yl)methyl]-6-piperidin-1-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-6-piperidino-cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=C1)N2CCCCC2)C(=O)OC)CN3C(=NC=C3[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C([C@@H]([C@H](C(=C1)N2CCCCC2)C(=O)OC)CN3C(=NC=C3[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C21H28N4O6/c1-13-10-16(23-8-6-5-7-9-23)19(21(27)31-4)15(18(13)20(26)30-3)12-24-14(2)22-11-17(24)25(28)29/h10-11,15,19H,5-9,12H2,1-4H3/t15-,19+/m0/s1