[(1S)-2-oxidanylidenecyclohexyl] 2-(4-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(4-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(4-chlorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-chlorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H16ClNO5 MolecularWeight: 397.80844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClNO5/c22-13-6-8-14(9-7-13)23-19(25)15-10-5-12(11-16(15)20(23)26)21(27)28-18-4-2-1-3-17(18)24/h5-11,18H,1-4H2/t18-/m0/s1