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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-chlorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-chlorophenyl)-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-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-chlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H14ClN3O5 MolecularWeight: 423.80596

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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)C3=CC=CC=C3Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3Cl)/N

InChI

InChI=1S/C21H14ClN3O5/c1-11(24)15(9-23)18(26)10-30-21(29)12-6-7-13-14(8-12)20(28)25(19(13)27)17-5-3-2-4-16(17)22/h2-8H,10,24H2,1H3/b15-11+