dimethyl (3aS,4R)-4-cyano-5-oxidanylidene-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Systemtic Name: dimethyl (3aS,4R)-4-cyano-5-oxidanylidene-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: dimethyl (3aS,4R)-4-cyano-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: (3aS,4R)-4-cyano-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,4R)-4-cyano-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: (3aS,4R)-4-cyano-5-keto-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2C(C(=O)C=C2C1)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@H]2[C@@H](C(=O)C=C2C1)C#N)C(=O)OC

InChI

InChI=1S/C13H13NO5/c1-18-11(16)13(12(17)19-2)4-7-3-10(15)9(6-14)8(7)5-13/h3,8-9H,4-5H2,1-2H3/t8-,9+/m1/s1