3-cyanopropyl 2-(4-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 3-cyanopropyl 2-(4-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 3-cyanopropyl 2-(4-chlorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-chlorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid 3-cyanopropyl ester Formula: C19H13ClN2O4 MolecularWeight: 368.77052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCC#N)Cl

InChI

InChI=1S/C19H13ClN2O4/c20-13-4-6-14(7-5-13)22-17(23)15-8-3-12(11-16(15)18(22)24)19(25)26-10-2-1-9-21/h3-8,11H,1-2,10H2