(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C21H21N3O5/c1-12(23)17(10-22)18(25)11-29-21(28)13-7-8-15-16(9-13)20(27)24(19(15)26)14-5-3-2-4-6-14/h7-9,14,17,23H,2-6,11H2,1H3