methyl 3a-ethyl-1,3-bis(oxidanylidene)-7a-(3-oxidanylidenebutanoyloxy)isoindole-4-carboxylate

Systemtic Name: methyl 3a-ethyl-1,3-bis(oxidanylidene)-7a-(3-oxidanylidenebutanoyloxy)isoindole-4-carboxylate Openeye Name: methyl 3a-ethyl-1,3-dioxo-7a-(3-oxobutanoyloxy)isoindole-4-carboxylate CAS Name: 7a-(1,3-dioxobutoxy)-3a-ethyl-1,3-dioxo-4-isoindolecarboxylic acid methyl ester IUPAC Name: methyl 3a-ethyl-1,3-dioxo-7a-(3-oxobutanoyloxy)isoindole-4-carboxylate Traditional Name: 7a-acetoacetyloxy-3a-ethyl-1,3-diketo-isoindole-4-carboxylic acid methyl ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(=CC=CC1(C(=O)NC2=O)OC(=O)CC(=O)C)C(=O)OC

Isomeric SMILES

CCC12C(=CC=CC1(C(=O)NC2=O)OC(=O)CC(=O)C)C(=O)OC

InChI

InChI=1S/C16H17NO7/c1-4-15-10(12(20)23-3)6-5-7-16(15,14(22)17-13(15)21)24-11(19)8-9(2)18/h5-7H,4,8H2,1-3H3,(H,17,21,22)