dimethyl (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-6-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-1-imidazolyl)methyl]-6-(1-pyrrolidinyl)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-pyrrolidin-1-ylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2R)-4-methyl-2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-6-pyrrolidino-cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=C1)N2CCCC2)C(=O)OC)CN3C(=NC=C3[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C([C@@H]([C@H](C(=C1)N2CCCC2)C(=O)OC)CN3C(=NC=C3[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C20H26N4O6/c1-12-9-15(22-7-5-6-8-22)18(20(26)30-4)14(17(12)19(25)29-3)11-23-13(2)21-10-16(23)24(27)28/h9-10,14,18H,5-8,11H2,1-4H3/t14-,18+/m0/s1