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

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: ethyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate CAS Name: 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid ethyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C17H17NO4/c1-2-22-17(21)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(18)20/h3-4,7-10,13-14H,2,5-6H2,1H3