diethyl (1R,5S)-4-acetyloxy-4-ethynyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylate

Systemtic Name: diethyl (1R,5S)-4-acetyloxy-4-ethynyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylate Openeye Name: diethyl (1R,5S)-4-acetoxy-4-ethynyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylate CAS Name: (1R,5S)-4-acetyloxy-4-ethynyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,5S)-4-acetyloxy-4-ethynyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylate Traditional Name: (1R,5S)-4-acetoxy-4-ethynyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylic acid diethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC(N1C(=O)OCC)C(C=C2)(C#C)OC(=O)C

Isomeric SMILES

CCOC(=O)N1[C@@H]2CC[C@H](N1C(=O)OCC)C(C=C2)(C#C)OC(=O)C

InChI

InChI=1S/C17H22N2O6/c1-5-17(25-12(4)20)11-10-13-8-9-14(17)19(16(22)24-7-3)18(13)15(21)23-6-2/h1,10-11,13-14H,6-9H2,2-4H3/t13-,14+,17?/m1/s1