ethyl 3-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate

Systemtic Name: ethyl 3-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: ethyl 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate CAS Name: 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-5-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid ethyl ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3CC=C(CC3C2=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3CC=C(CC3C2=O)C

InChI

InChI=1S/C18H19NO4/c1-3-23-18(22)12-5-4-6-13(10-12)19-16(20)14-8-7-11(2)9-15(14)17(19)21/h4-7,10,14-15H,3,8-9H2,1-2H3