ethyl 1,4,4-trimethyl-7-oxidanylidene-isoindole-1-carboxylate

Systemtic Name: ethyl 1,4,4-trimethyl-7-oxidanylidene-isoindole-1-carboxylate Openeye Name: ethyl 1,4,4-trimethyl-7-oxo-isoindole-1-carboxylate CAS Name: 1,4,4-trimethyl-7-oxo-1-isoindolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,4,4-trimethyl-7-oxoisoindole-1-carboxylate Traditional Name: 7-keto-1,4,4-trimethyl-isoindole-1-carboxylic acid ethyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=C(C=N1)C(C=CC2=O)(C)C)C

Isomeric SMILES

CCOC(=O)C1(C2=C(C=N1)C(C=CC2=O)(C)C)C

InChI

InChI=1S/C14H17NO3/c1-5-18-12(17)14(4)11-9(8-15-14)13(2,3)7-6-10(11)16/h6-8H,5H2,1-4H3