[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] heptanoate

Systemtic Name: [2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] heptanoate Openeye Name: [2-(5-bromo-1,3-dioxo-isoindolin-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [2-(5-bromo-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [2-(5-bromo-1,3-dioxoisoindol-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [2-(5-bromo-1,3-diketo-isoindolin-2-yl)phenyl] ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCCCCC(=O)OC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO4/c1-2-3-4-5-10-19(24)27-18-9-7-6-8-17(18)23-20(25)15-12-11-14(22)13-16(15)21(23)26/h6-9,11-13H,2-5,10H2,1H3