[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h7-9,14H,2-6,11,23H2,1H3/b17-12+