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

Systemtic Name: 3-cyanopropyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 3-cyanopropyl 2-(4-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-p-phenetyl-isoindoline-5-carboxylic acid 3-cyanopropyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCC#N

InChI

InChI=1S/C21H18N2O5/c1-2-27-16-8-6-15(7-9-16)23-19(24)17-10-5-14(13-18(17)20(23)25)21(26)28-12-4-3-11-22/h5-10,13H,2-4,12H2,1H3