methyl 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate

Systemtic Name: methyl 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: methyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate CAS Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid methyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C16H15NO4/c1-21-16(20)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)15(17)19/h2-6,9,12-13H,7-8H2,1H3