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

Systemtic Name: 3-cyanopropyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 3-cyanopropyl 2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid 3-cyanopropyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCC#N

InChI

InChI=1S/C21H18N2O4/c1-13-5-6-14(2)18(11-13)23-19(24)16-8-7-15(12-17(16)20(23)25)21(26)27-10-4-3-9-22/h5-8,11-12H,3-4,10H2,1-2H3