ethyl 4-[3-(1,3-benzodioxol-5-ylcarbonylimino)-1H-isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylcarbonylimino)-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 4-[1-(1,3-benzodioxole-5-carbonylimino)isoindolin-2-yl]benzoate CAS Name: 4-[3-[1,3-benzodioxol-5-yl(oxo)methyl]imino-1H-isoindol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxole-5-carbonylimino)-1H-isoindol-2-yl]benzoate Traditional Name: 4-(1-piperonyloyliminoisoindolin-2-yl)benzoic acid ethyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O5/c1-2-30-25(29)16-7-10-19(11-8-16)27-14-18-5-3-4-6-20(18)23(27)26-24(28)17-9-12-21-22(13-17)32-15-31-21/h3-13H,2,14-15H2,1H3