ethanedioic acid; methyl 3-cyano-5-(4-methoxy-4-oxidanylidene-butyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate

Systemtic Name: ethanedioic acid; methyl 3-cyano-5-(4-methoxy-4-oxidanylidene-butyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: methyl 3-cyano-5-(4-methoxy-4-oxo-butyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate; oxalic acid CAS Name: 3-cyano-5-(4-methoxy-4-oxobutyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 3-cyano-5-(4-methoxy-4-oxobutyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate; oxalic acid Traditional Name: 3-cyano-5-(4-keto-4-methoxy-butyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester; oxalic acid Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1CC2CC(C1C(=C2)C#N)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)CCCN1CC2CC(C1C(=C2)C#N)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20N2O4.C2H2O4/c1-20-13(18)4-3-5-17-9-10-6-11(8-16)14(17)12(7-10)15(19)21-2;3-1(4)2(5)6/h6,10,12,14H,3-5,7,9H2,1-2H3;(H,3,4)(H,5,6)