dimethyl (1S,4R)-3-methyl-2-oxidanylidene-3-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate

Systemtic Name: dimethyl (1S,4R)-3-methyl-2-oxidanylidene-3-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Openeye Name: dimethyl (1S,4R)-3-methyl-2-oxo-3-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate CAS Name: (1S,4R)-3-methyl-2-oxo-3-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4R)-3-methyl-2-oxo-3-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Traditional Name: (1S,4R)-2-keto-3-methyl-3-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid dimethyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C=CC(C1=O)C(=C2C(=O)OC)C(=O)OC

Isomeric SMILES

CN1[C@@H]2C=C[C@H](C1=O)C(=C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H13NO5/c1-13-7-5-4-6(10(13)14)8(11(15)17-2)9(7)12(16)18-3/h4-7H,1-3H3/t6-,7+/m0/s1