methyl (3S,3aR,6aR)-3-cyano-6,6-dimethyl-5-oxidanylidene-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate

Systemtic Name: methyl (3S,3aR,6aR)-3-cyano-6,6-dimethyl-5-oxidanylidene-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate Openeye Name: methyl (3S,3aR,6aR)-3-cyano-6,6-dimethyl-5-oxo-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate CAS Name: (3S,3aR,6aR)-3-cyano-6,6-dimethyl-5-oxo-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aR,6aR)-3-cyano-6,6-dimethyl-5-oxo-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate Traditional Name: (3S,3aR,6aR)-3-cyano-5-keto-6,6-dimethyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C2(CC1=O)C(=O)OC)C#N)C

Isomeric SMILES

CC1([C@H]2CC[C@@H]([C@]2(CC1=O)C(=O)OC)C#N)C

InChI

InChI=1S/C13H17NO3/c1-12(2)9-5-4-8(7-14)13(9,6-10(12)15)11(16)17-3/h8-9H,4-6H2,1-3H3/t8-,9-,13+/m1/s1